(4-nitrophenyl)methyl N-[1-[1-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]pyrrolidin-3-yl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-[1-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]pyrrolidin-3-yl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[1-(1-methyl-4-tritylsulfanyl-pyrrolidin-2-yl)pyrrolidin-3-yl]carbamate CAS Name: N-[1-[1-methyl-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]-3-pyrrolidinyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-(1-methyl-4-tritylsulfanylpyrrolidin-2-yl)pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[1-methyl-4-(tritylthio)pyrrolidin-2-yl]pyrrolidin-3-yl]carbamic acid (4-nitrobenzyl) ester Formula: C36H38N4O4S MolecularWeight: 622.77632

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1N2CCC(C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1CC(CC1N2CCC(C2)NC(=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/c1-38-25-33(45-36(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30)23-34(38)39-22-21-31(24-39)37-35(41)44-26-27-17-19-32(20-18-27)40(42)43/h2-20,31,33-34H,21-26H2,1H3,(H,37,41)