[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(3-chlorophenyl)-methylsulfamoyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-17(22(27)26-13-5-3-4-6-14-26)31-23(28)18-9-7-12-21(15-18)32(29,30)25(2)20-11-8-10-19(24)16-20/h7-12,15-17H,3-6,13-14H2,1-2H3