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

Systemtic Name: (4-nitrophenyl)methyl 2-methyl-4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-methyl-4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-mercapto-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]methyl]-2-methyl-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methyl-4-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-mercapto-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]methyl]-2-methyl-piperazine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H31N5O8S MolecularWeight: 573.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

CC1CN(CCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C26H31N5O8S/c1-18-13-27(10-11-28(18)25(32)38-16-19-2-6-21(7-3-19)30(34)35)14-23-12-24(40)15-29(23)26(33)39-17-20-4-8-22(9-5-20)31(36)37/h2-9,18,23-24,40H,10-17H2,1H3