[2-methylsulfonyloxy-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-butyl] 4-nitrobenzoate

Systemtic Name: [2-methylsulfonyloxy-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-butyl] 4-nitrobenzoate Openeye Name: [3-(benzyloxycarbonylamino)-2-methylsulfonyloxy-4-phenylsulfanyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methylsulfonyloxy-3-(phenylmethoxycarbonylamino)-4-(phenylthio)butyl] ester IUPAC Name: [2-methylsulfonyloxy-3-(phenylmethoxycarbonylamino)-4-phenylsulfanylbutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(benzyloxycarbonylamino)-2-methylsulfonyloxy-4-(phenylthio)butyl] ester Formula: C26H26N2O9S2 MolecularWeight: 574.62264

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O9S2/c1-39(33,34)37-24(17-35-25(29)20-12-14-21(15-13-20)28(31)32)23(18-38-22-10-6-3-7-11-22)27-26(30)36-16-19-8-4-2-5-9-19/h2-15,23-24H,16-18H2,1H3,(H,27,30)