N-[(4-aminocarbonylphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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)NCC3=CC=C(C=C3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)N)C

InChI

InChI=1S/C22H27N3O4S/c1-15-3-8-20(13-16(15)2)30(28,29)25-11-9-19(10-12-25)22(27)24-14-17-4-6-18(7-5-17)21(23)26/h3-8,13,19H,9-12,14H2,1-2H3,(H2,23,26)(H,24,27)