[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H23ClN2O5S/c18-14-6-5-7-15(12-14)26(23,24)19-9-8-17(22)25-13-16(21)20-10-3-1-2-4-11-20/h5-7,12,19H,1-4,8-11,13H2