1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(5-nitrothiazol-2-yl)-1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-N-(5-nitro-2-thiazolyl)-4-piperidinecarboxamide IUPAC Name: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]-N-(5-nitrothiazol-2-yl)isonipecotamide Formula: C21H23N5O5S MolecularWeight: 457.50282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c1-13-2-4-16(5-3-13)25-12-15(10-17(25)27)20(29)24-8-6-14(7-9-24)19(28)23-21-22-11-18(32-21)26(30)31/h2-5,11,14-15H,6-10,12H2,1H3,(H,22,23,28)