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

Systemtic Name: 5-butyl-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1H-pyrrol-3-ol Openeye Name: 2-benzyl-5-butyl-4-(p-tolylsulfonyl)-1H-pyrrol-3-ol CAS Name: 5-butyl-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1H-pyrrol-3-ol IUPAC Name: 2-benzyl-5-butyl-4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-ol Traditional Name: 2-benzyl-5-butyl-4-tosyl-1H-pyrrol-3-ol Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1)CC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(C(=C(N1)CC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO3S/c1-3-4-10-19-22(27(25,26)18-13-11-16(2)12-14-18)21(24)20(23-19)15-17-8-6-5-7-9-17/h5-9,11-14,23-24H,3-4,10,15H2,1-2H3