[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O6S/c1-17(22(26)25-14-5-3-4-6-15-25)31-23(27)18-8-7-9-21(16-18)32(28,29)24-19-10-12-20(30-2)13-11-19/h7-13,16-17,24H,3-6,14-15H2,1-2H3