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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(1-methyl-4-piperidyl)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[2-(1-methyl-4-piperidinyl)ethylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[2-(1-methyl-4-piperidyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H30N4O5S MolecularWeight: 450.5517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5S/c1-23-10-7-15(8-11-23)6-9-22-20(26)19-12-18(31)13-24(19)21(27)30-14-16-2-4-17(5-3-16)25(28)29/h2-5,15,18-19,31H,6-14H2,1H3,(H,22,26)