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

Systemtic Name: (phenylmethyl) 3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propanoate Openeye Name: benzyl 3-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]propanoate CAS Name: 3-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]propanoate Traditional Name: 3-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]propionic acid benzyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)CC2=CC=CC=C2)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c26-22(30-17-19-9-3-1-4-10-19)14-16-25-15-8-7-13-21(23(25)27)24-31(28,29)18-20-11-5-2-6-12-20/h1-6,9-12,21,24H,7-8,13-18H2/t21-/m0/s1