N-[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4S/c1-15-3-9-20(10-4-15)31(29,30)26-13-11-17(12-14-26)22(28)24-16(2)21(27)25-19-7-5-18(23)6-8-19/h3-10,16-17H,11-14H2,1-2H3,(H,24,28)(H,25,27)/t16-/m0/s1