N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C21H22N2O4S2 MolecularWeight: 430.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3)C

InChI

InChI=1S/C21H22N2O4S2/c1-16-10-11-20(13-17(16)2)28(24,25)21(18-7-6-12-22-14-18)15-23-29(26,27)19-8-4-3-5-9-19/h3-14,21,23H,15H2,1-2H3