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

Systemtic Name: N-[2-(dimethylamino)-1-phenyl-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(dimethylamino)-1-phenyl-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(dimethylamino)-1-phenyl-ethyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-25(2)16-21(17-7-4-3-5-8-17)24-22(27)18-9-6-14-26(15-18)30(28,29)20-12-10-19(23)11-13-20/h3-5,7-8,10-13,18,21H,6,9,14-16H2,1-2H3,(H,24,27)