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

Systemtic Name: (4-nitrophenyl)methyl 2-(1-methylpiperidin-4-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1-methyl-4-piperidyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(1-methyl-4-piperidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-methylpiperidin-4-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(1-methyl-4-piperidyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CCC(CC1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H25N3O4S/c1-19-8-6-14(7-9-19)17-10-16(26)11-20(17)18(22)25-12-13-2-4-15(5-3-13)21(23)24/h2-5,14,16-17,26H,6-12H2,1H3