[3-[[bis[(4-nitrophenyl)methoxycarbonyl]amino]methyl]-5-phenethyl-pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [3-[[bis[(4-nitrophenyl)methoxycarbonyl]amino]methyl]-5-phenethyl-pyrrolidin-3-yl] methanesulfonate Openeye Name: [3-[[bis[(4-nitrophenyl)methoxycarbonyl]amino]methyl]-5-phenethyl-pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[[bis[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-5-phenethyl-3-pyrrolidinyl] ester IUPAC Name: [3-[[bis[(4-nitrophenyl)methoxycarbonyl]amino]methyl]-5-phenethylpyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[bis[(4-nitrobenzyl)oxycarbonyl]amino]methyl]-5-phenethyl-pyrrolidin-3-yl] ester Formula: C30H32N4O11S MolecularWeight: 656.66028

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CC(NC1)CCC2=CC=CC=C2)CN(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1(CC(NC1)CCC2=CC=CC=C2)CN(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H32N4O11S/c1-46(41,42)45-30(17-25(31-20-30)12-7-22-5-3-2-4-6-22)21-32(28(35)43-18-23-8-13-26(14-9-23)33(37)38)29(36)44-19-24-10-15-27(16-11-24)34(39)40/h2-6,8-11,13-16,25,31H,7,12,17-21H2,1H3