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

Systemtic Name: (4-nitrophenyl)methyl 2-(1-methylpiperidin-4-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1-methyl-4-piperidyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1-methyl-4-piperidinyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-methylpiperidin-4-yl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(1-methyl-4-piperidyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C37H39N3O4S MolecularWeight: 621.78826

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(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

CN1CCC(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/C37H39N3O4S/c1-38-23-21-29(22-24-38)35-25-34(26-39(35)36(41)44-27-28-17-19-33(20-18-28)40(42)43)45-37(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,29,34-35H,21-27H2,1H3