N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-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)N(C)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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