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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-2-25(20-12-6-5-7-13-20)31(28,29)21-14-10-11-19(17-21)23(27)30-18-22(26)24-15-8-3-4-9-16-24/h5-7,10-14,17H,2-4,8-9,15-16,18H2,1H3