[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate Traditional Name: 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H27ClN2O5S/c1-25(16-18-9-5-4-6-10-18)32(29,30)19-11-12-21(24)20(15-19)23(28)31-17-22(27)26-13-7-2-3-8-14-26/h4-6,9-12,15H,2-3,7-8,13-14,16-17H2,1H3