[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-16-9-11-17(12-10-16)30(27,28)23-19-8-4-3-7-18(19)21(26)29-15-20(25)24-13-5-1-2-6-14-24/h3-4,7-12,23H,1-2,5-6,13-15H2