3-methyl-4-[2-(4-methylphenyl)sulfinylethyl]-2-(4-methylphenyl)sulfonyl-1H-pyrrole

Systemtic Name: 3-methyl-4-[2-(4-methylphenyl)sulfinylethyl]-2-(4-methylphenyl)sulfonyl-1H-pyrrole Openeye Name: 3-methyl-4-[2-(p-tolylsulfinyl)ethyl]-2-(p-tolylsulfonyl)-1H-pyrrole CAS Name: 3-methyl-4-[2-(4-methylphenyl)sulfinylethyl]-2-(4-methylphenyl)sulfonyl-1H-pyrrole IUPAC Name: 3-methyl-4-[2-(4-methylphenyl)sulfinylethyl]-2-(4-methylphenyl)sulfonyl-1H-pyrrole Traditional Name: 3-methyl-4-[2-(p-tolylsulfinyl)ethyl]-2-tosyl-1H-pyrrole Formula: C21H23NO3S2 MolecularWeight: 401.54222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCC2=CNC(=C2C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCC2=CNC(=C2C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO3S2/c1-15-4-8-19(9-5-15)26(23)13-12-18-14-22-21(17(18)3)27(24,25)20-10-6-16(2)7-11-20/h4-11,14,22H,12-13H2,1-3H3