[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C24H28N4O5S MolecularWeight: 484.56792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O5S/c1-18-10-11-19(14-22(18)34(31,32)28-12-6-2-3-7-13-28)26-23(29)16-33-24(30)15-27-17-25-20-8-4-5-9-21(20)27/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16H2,1H3,(H,26,29)