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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-14(18(23)21-11-4-2-3-5-12-21)26-17(22)9-10-20-27(24,25)16-8-6-7-15(19)13-16/h6-8,13-14,20H,2-5,9-12H2,1H3