N-[2-(dimethylamino)phenyl]-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)phenyl]-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(dimethylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(dimethylamino)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(dimethylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(dimethylamino)phenyl]isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N(C)C

InChI

InChI=1S/C22H27N3O4S/c1-16(26)17-8-10-19(11-9-17)30(28,29)25-14-12-18(13-15-25)22(27)23-20-6-4-5-7-21(20)24(2)3/h4-11,18H,12-15H2,1-3H3,(H,23,27)