5-butyl-4-(4-methylphenyl)sulfonyl-2-(2-methylsulfanylethyl)-1H-pyrrol-3-ol

Systemtic Name: 5-butyl-4-(4-methylphenyl)sulfonyl-2-(2-methylsulfanylethyl)-1H-pyrrol-3-ol Openeye Name: 5-butyl-2-(2-methylsulfanylethyl)-4-(p-tolylsulfonyl)-1H-pyrrol-3-ol CAS Name: 5-butyl-4-(4-methylphenyl)sulfonyl-2-[2-(methylthio)ethyl]-1H-pyrrol-3-ol IUPAC Name: 5-butyl-4-(4-methylphenyl)sulfonyl-2-(2-methylsulfanylethyl)-1H-pyrrol-3-ol Traditional Name: 5-butyl-2-[2-(methylthio)ethyl]-4-tosyl-1H-pyrrol-3-ol Formula: C18H25NO3S2 MolecularWeight: 367.526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1)CCSC)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC1=C(C(=C(N1)CCSC)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H25NO3S2/c1-4-5-6-16-18(17(20)15(19-16)11-12-23-3)24(21,22)14-9-7-13(2)8-10-14/h7-10,19-20H,4-6,11-12H2,1-3H3