N-(5-chloranyl-2-methoxy-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C21H25ClN2O4S/c1-14-4-6-18(12-15(14)2)29(26,27)24-10-8-16(9-11-24)21(25)23-19-13-17(22)5-7-20(19)28-3/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,25)