(3S)-N-(3-chloranyl-4-cyano-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-cyano-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-cyano-phenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-cyanophenyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-cyanophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-cyano-phenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H16ClN3O3S2/c18-15-9-14(6-5-12(15)10-19)20-17(22)13-3-1-7-21(11-13)26(23,24)16-4-2-8-25-16/h2,4-6,8-9,13H,1,3,7,11H2,(H,20,22)/t13-/m0/s1