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

Systemtic Name: (4-nitrophenyl)methyl 2-methyl-4-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-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]-2-methyl-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-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]-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-])C3(CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S)C

Isomeric SMILES

CC1CN(CCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3(CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S)C

InChI

InChI=1S/C26H31N5O8S/c1-18-14-27(11-12-28(18)24(32)38-16-19-3-7-21(8-4-19)30(34)35)26(2)13-23(40)15-29(26)25(33)39-17-20-5-9-22(10-6-20)31(36)37/h3-10,18,23,40H,11-17H2,1-2H3