(3S)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-cyano-4,5-dimethyl-2-thienyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-cyano-4,5-dimethyl-2-thienyl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C19H20FN3O3S2 MolecularWeight: 421.508803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H20FN3O3S2/c1-12-13(2)27-19(17(12)10-21)22-18(24)14-4-3-9-23(11-14)28(25,26)16-7-5-15(20)6-8-16/h5-8,14H,3-4,9,11H2,1-2H3,(H,22,24)/t14-/m0/s1