(3S)-N-[4-(cyanomethyl)phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(cyanomethyl)phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(cyanomethyl)phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-(cyanomethyl)phenyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(cyanomethyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(cyanomethyl)phenyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H20FN3O3S/c21-17-5-9-19(10-6-17)28(26,27)24-13-1-2-16(14-24)20(25)23-18-7-3-15(4-8-18)11-12-22/h3-10,16H,1-2,11,13-14H2,(H,23,25)/t16-/m0/s1