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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C21H22FN3O3S2/c22-15-5-7-16(8-6-15)30(27,28)25-11-9-14(10-12-25)20(26)24-21-18(13-23)17-3-1-2-4-19(17)29-21/h5-8,14H,1-4,9-12H2,(H,24,26)