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

Systemtic Name: N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[4-(4-cyanophenyl)thiazol-2-yl]propanamide CAS Name: N-[4-(4-cyanophenyl)-2-thiazolyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-benzylsulfonyl-N-[4-(4-cyanophenyl)thiazol-2-yl]propionamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S2/c21-12-15-6-8-17(9-7-15)18-13-27-20(22-18)23-19(24)10-11-28(25,26)14-16-4-2-1-3-5-16/h1-9,13H,10-11,14H2,(H,22,23,24)