N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CS3

InChI

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