N-(3-cyanothiophen-2-yl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(3-cyano-2-thienyl)piperidine-4-carboxamide CAS Name: N-(3-cyano-2-thiophenyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(3-cyanothiophen-2-yl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(3-cyano-2-thienyl)isonipecotamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CS2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CS2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S2/c19-12-16-8-11-25-18(16)20-17(22)15-6-9-21(10-7-15)26(23,24)13-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,13H2,(H,20,22)