[2-azanyl-3-oxidanylidene-3-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-3-oxidanylidene-3-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [2-amino-3-(benzyloxycarbonylamino)-3-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-3-oxo-3-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [2-amino-3-oxo-3-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-3-(benzyloxycarbonylamino)-3-keto-propyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)NC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C18H20N2O6S/c1-13-7-9-15(10-8-13)27(23,24)26-12-16(19)17(21)20-18(22)25-11-14-5-3-2-4-6-14/h2-10,16H,11-12,19H2,1H3,(H,20,21,22)