1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)-(2-thienyl)methyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)-(2-thienyl)methyl]isonipecotamide Formula: C25H27FN2O3S2 MolecularWeight: 486.621883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)C

InChI

InChI=1S/C25H27FN2O3S2/c1-17-5-10-22(16-18(17)2)33(30,31)28-13-11-20(12-14-28)25(29)27-24(23-4-3-15-32-23)19-6-8-21(26)9-7-19/h3-10,15-16,20,24H,11-14H2,1-2H3,(H,27,29)