N-(3-chloranyl-2-methyl-phenyl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(3-chloro-2-methyl-phenyl)isonipecotamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H23ClN2O4S/c1-14-19(22)4-3-5-20(14)23-21(26)17-10-12-24(13-11-17)29(27,28)18-8-6-16(7-9-18)15(2)25/h3-9,17H,10-13H2,1-2H3,(H,23,26)