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

Systemtic Name: 2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]-3H-azepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzylsulfonylamino)-2-oxo-3H-azepin-1-yl]acetic acid CAS Name: 2-[2-oxo-3-[(phenylmethyl)sulfonylamino]-3H-azepin-1-yl]acetic acid IUPAC Name: 2-[3-(benzylsulfonylamino)-2-oxo-3H-azepin-1-yl]acetic acid Traditional Name: 2-[3-(benzylsulfonylamino)-2-keto-3H-azepin-1-yl]acetic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC2C=CC=CN(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2C=CC=CN(C2=O)CC(=O)O

InChI

InChI=1S/C15H16N2O5S/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/h1-9,13,16H,10-11H2,(H,18,19)