N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[2-(2-thienyl)-2-tosyl-ethyl]benzenesulfonamide Formula: C22H25NO4S3 MolecularWeight: 463.6332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=C(C=C2)C(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=C(C=C2)C(C)C)C3=CC=CS3

InChI

InChI=1S/C22H25NO4S3/c1-16(2)18-8-12-20(13-9-18)30(26,27)23-15-22(21-5-4-14-28-21)29(24,25)19-10-6-17(3)7-11-19/h4-14,16,22-23H,15H2,1-3H3