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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-propoxy-benzenesulfonamide Openeye Name: 4-propoxy-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-propoxybenzenesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-propoxybenzenesulfonamide Traditional Name: 4-propoxy-N-[2-(2-thienyl)-2-tosyl-ethyl]benzenesulfonamide Formula: C22H25NO5S3 MolecularWeight: 479.6326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO5S3/c1-3-14-28-18-8-12-20(13-9-18)31(26,27)23-16-22(21-5-4-15-29-21)30(24,25)19-10-6-17(2)7-11-19/h4-13,15,22-23H,3,14,16H2,1-2H3