(4-nitrophenyl)methyl 2-[(3-methylpiperazin-1-yl)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3-methylpiperazin-1-yl)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(3-methylpiperazin-1-yl)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(3-methyl-1-piperazinyl)methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3-methylpiperazin-1-yl)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(3-methylpiperazino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C37H40N4O4S MolecularWeight: 636.8029

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2CC(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

CC1CN(CCN1)CC2CC(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/C37H40N4O4S/c1-28-24-39(22-21-38-28)25-34-23-35(26-40(34)36(42)45-27-29-17-19-33(20-18-29)41(43)44)46-37(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,28,34-35,38H,21-27H2,1H3