N-[3-(dimethylamino)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C19H31N3O3S MolecularWeight: 381.53274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN(C)C

InChI

InChI=1S/C19H31N3O3S/c1-16-6-4-7-17(14-16)15-26(24,25)22-12-8-18(9-13-22)19(23)20-10-5-11-21(2)3/h4,6-7,14,18H,5,8-13,15H2,1-3H3,(H,20,23)