3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID

Molecular Formula: C₂₁H₂₃N₃O₇S

InChI: InChI=1/C21H23N3O7S/c1-22-20(26)18-11-14-6-7-17(23-32(29,30)31)10-16(14)12-24(18)19(25)8-5-13-3-2-4-15(9-13)21(27)28/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30,31)/t18-/m0/s1/f/h22,27,29H

InChIKey: InChIKey=AQIMGTQPGXDDPP-OLULBFAJDC
SMILES: CNC(=O)C1CC2=C(CN1C(=O)CCC3=CC=CC(=C3)C(=O)O)C=C(C=C2)NS(=O)(=O)O

Names:
    UN7
    3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID
    3-[3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]benzoic acid

Registries:
    PubChem CID 5327158
    PubChem ID 8142771