(4-nitrophenyl)methyl 2-(4-methylpiperazin-1-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-methylpiperazin-1-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-methylpiperazin-1-yl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(4-methyl-1-piperazinyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-methylpiperazin-1-yl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(4-methylpiperazino)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H38N4O4S MolecularWeight: 622.77632

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H38N4O4S/c1-37-21-23-38(24-22-37)34-25-33(26-39(34)35(41)44-27-28-17-19-32(20-18-28)40(42)43)45-36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-20,33-34H,21-27H2,1H3