N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(3-fluoro-4-methyl-anilino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(3-fluoro-4-methyl-anilino)-3-keto-propyl]isonipecotamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C22H26FN3O4S/c1-16-7-8-18(15-20(16)23)25-21(27)9-12-24-22(28)17-10-13-26(14-11-17)31(29,30)19-5-3-2-4-6-19/h2-8,15,17H,9-14H2,1H3,(H,24,28)(H,25,27)