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

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O5S/c28-22(16-32-23(29)15-26-17-24-20-10-3-4-11-21(20)26)25-18-8-7-9-19(14-18)33(30,31)27-12-5-1-2-6-13-27/h3-4,7-11,14,17H,1-2,5-6,12-13,15-16H2,(H,25,28)