N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O3S2/c1-14-2-7-18-19(13-24)22(30-20(18)12-14)25-21(27)15-8-10-26(11-9-15)31(28,29)17-5-3-16(23)4-6-17/h3-6,14-15H,2,7-12H2,1H3,(H,25,27)