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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3=CC=CC=C3F

InChI

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