(4-nitrophenyl)methyl 1-[2-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-3-sulfanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-[2-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-3-sulfanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-[2-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-3-sulfanyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 3-mercapto-1-[2-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-[2-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-3-sulfanylpyrrolidin-1-ium-1-carboxylate Traditional Name: 3-mercapto-1-[2-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H27N4O8S+ MolecularWeight: 531.55818

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1[N+]2(CCC(C2)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNC(C1[N+]2(CCC(C2)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O8S/c29-23(35-14-16-1-5-18(6-2-16)26(31)32)22-21(9-11-25-22)28(12-10-20(37)13-28)24(30)36-15-17-3-7-19(8-4-17)27(33)34/h1-8,20-22,25H,9-15H2/p+1