[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H31ClN2O5S MolecularWeight: 555.08484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C29H31ClN2O5S/c1-20-16-21(2)18-24(17-20)31-28(33)27(22-10-6-5-7-11-22)37-29(34)23-12-13-25(30)26(19-23)38(35,36)32-14-8-3-4-9-15-32/h5-7,10-13,16-19,27H,3-4,8-9,14-15H2,1-2H3,(H,31,33)