[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O5S/c1-3-26(21-13-7-6-8-14-21)32(29,30)22-15-11-12-20(18-22)24(28)31-19(2)23(27)25-16-9-4-5-10-17-25/h6-8,11-15,18-19H,3-5,9-10,16-17H2,1-2H3