[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-14(22-29(26,27)18-10-8-17(9-11-18)15(2)23)20(25)28-13-19(24)21-12-16-6-4-3-5-7-16/h3-11,14,22H,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1