(4-nitrophenyl)methyl 2-[4-(2-dimethylaminoethyl)piperidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(2-dimethylaminoethyl)piperidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(2-dimethylaminoethyl)piperidine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[4-(2-dimethylaminoethyl)-1-piperidinyl]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(2-dimethylaminoethyl)piperidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(2-dimethylaminoethyl)piperidine-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN(C)CCC1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C22H32N4O5S/c1-23(2)10-7-16-8-11-24(12-9-16)21(27)20-13-19(32)14-25(20)22(28)31-15-17-3-5-18(6-4-17)26(29)30/h3-6,16,19-20,32H,7-15H2,1-2H3