N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[4-(4-cyanophenyl)thiazol-2-yl]butanamide CAS Name: N-[4-(4-cyanophenyl)-2-thiazolyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-benzylsulfonyl-N-[4-(4-cyanophenyl)thiazol-2-yl]butyramide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O3S2/c22-13-16-8-10-18(11-9-16)19-14-28-21(23-19)24-20(25)7-4-12-29(26,27)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,14H,4,7,12,15H2,(H,23,24,25)