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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-1-tosyl-nipecotamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C(=C(S3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C(=C(S3)C)C)C#N

InChI

InChI=1S/C20H23N3O3S2/c1-13-6-8-17(9-7-13)28(25,26)23-10-4-5-16(12-23)19(24)22-20-18(11-21)14(2)15(3)27-20/h6-9,16H,4-5,10,12H2,1-3H3,(H,22,24)