ethyl 2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]ethanoate Openeye Name: ethyl 2-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]acetate Traditional Name: 2-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]acetic acid ethyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCCCC(C1=O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1CCCC[C@@H](C1=O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O5S/c1-2-24-16(20)12-19-11-7-6-10-15(17(19)21)18-25(22,23)13-14-8-4-3-5-9-14/h3-5,8-9,15,18H,2,6-7,10-13H2,1H3/t15-/m0/s1