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

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-tosyl-isonipecotamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O3S/c1-17-7-9-21(10-8-17)31(29,30)27-13-11-18(12-14-27)23(28)25-16-22(26(2)3)19-5-4-6-20(24)15-19/h4-10,15,18,22H,11-14,16H2,1-3H3,(H,25,28)