2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]ethanoic acid Openeye Name: 2-[3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]acetic acid IUPAC Name: 2-[3-(benzylsulfonylamino)-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-(benzylsulfonylamino)-2-keto-azepan-1-yl]acetic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C15H20N2O5S/c18-14(19)10-17-9-5-4-8-13(15(17)20)16-23(21,22)11-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2,(H,18,19)