[(3S)-2,5-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-2,5-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-(benzyloxycarbonylamino)-2,5-dioxo-pyrrolidin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-2,5-dioxo-3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl] ester IUPAC Name: [(3S)-2,5-dioxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-(benzyloxycarbonylamino)-2,5-diketo-pyrrolidino] ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)CC(C2=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C[C@@H](C2=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O7S/c1-13-7-9-15(10-8-13)29(25,26)28-21-17(22)11-16(18(21)23)20-19(24)27-12-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,24)/t16-/m0/s1