N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-isonipecotamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O4S/c1-16-5-4-6-17(2)22(16)25-21(28)15-26(3)23(29)18-11-13-27(14-12-18)32(30,31)20-9-7-19(24)8-10-20/h4-10,18H,11-15H2,1-3H3,(H,25,28)