N-[3-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(dimethylamino)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(dimethylamino)phenyl]-1-tosyl-isonipecotamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16-7-9-20(10-8-16)28(26,27)24-13-11-17(12-14-24)21(25)22-18-5-4-6-19(15-18)23(2)3/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)