N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-nitrophenyl)sulfonyl-isonipecotamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O6S/c1-13-11-16(18(30-2)12-15(13)21)22-20(25)14-7-9-23(10-8-14)31(28,29)19-6-4-3-5-17(19)24(26)27/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,25)