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

Systemtic Name: (4-nitrophenyl)methyl 4-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-mercapto-2-methyl-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-mercapto-2-methyl-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]piperazine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H29N5O8S MolecularWeight: 559.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O8S/c1-25(14-22(39)15-28(25)24(32)38-17-19-4-8-21(9-5-19)30(35)36)27-12-10-26(11-13-27)23(31)37-16-18-2-6-20(7-3-18)29(33)34/h2-9,22,39H,10-17H2,1H3