N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[2-(4-chlorophenyl)-2-(2-thienylsulfonyl)ethyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[2-(4-chlorophenyl)-2-(2-thienylsulfonyl)ethyl]-3,4-dimethyl-benzenesulfonamide Formula: C20H20ClNO4S3 MolecularWeight: 470.0251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4S3/c1-14-5-10-18(12-15(14)2)29(25,26)22-13-19(16-6-8-17(21)9-7-16)28(23,24)20-4-3-11-27-20/h3-12,19,22H,13H2,1-2H3