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

Systemtic Name: (4-nitrophenyl)methyl 2-methyl-2-(4-methylpiperazin-1-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-methyl-2-(4-methylpiperazin-1-yl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-methyl-2-(4-methyl-1-piperazinyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methyl-2-(4-methylpiperazin-1-yl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-methyl-2-(4-methylpiperazino)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C37H40N4O4S MolecularWeight: 636.8029

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCN(CC6)C

Isomeric SMILES

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCN(CC6)C

InChI

InChI=1S/C37H40N4O4S/c1-36(39-24-22-38(2)23-25-39)26-34(27-40(36)35(42)45-28-29-18-20-33(21-19-29)41(43)44)46-37(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-21,34H,22-28H2,1-2H3