[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-(p-phenetylsulfonylamino)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O6S/c1-3-31-19-12-14-20(15-13-19)33(29,30)25-22-11-7-6-10-21(22)24(28)32-18(2)23(27)26-16-8-4-5-9-17-26/h6-7,10-15,18,25H,3-5,8-9,16-17H2,1-2H3