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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-esyl-isonipecotamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C17H23N3O3S2/c1-2-25(22,23)20-9-7-12(8-10-20)16(21)19-17-14(11-18)13-5-3-4-6-15(13)24-17/h12H,2-10H2,1H3,(H,19,21)