1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane

Molecular Formula: C21H23N5O4S2


InChI: InChI=1/C21H23N5O4S2/c1-16-3-5-17(6-4-16)15-20-22-21(31-23-20)24-11-2-12-25(14-13-24)32(29,30)19-9-7-18(8-10-19)26(27)28/h3-10H,2,11-15H2,1H3

InChIKey: InChIKey=MRUGGZWUKLGEPE-UHFFFAOYAH
SMILES: CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Names:
    1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane

Registries:
    PubChem CID 3556041
    PubChem ID 4809812