N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H19N3O3S2/c19-10-9-14-5-7-16(8-6-14)20-18(22)15-3-1-11-21(13-15)26(23,24)17-4-2-12-25-17/h2,4-8,12,15H,1,3,9,11,13H2,(H,20,22)