N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(4-piperidinosulfonylphenyl)propionamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H25N3O3S2/c1-15-16(2)28-21(19(15)14-22)23-20(25)11-8-17-6-9-18(10-7-17)29(26,27)24-12-4-3-5-13-24/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,23,25)