4-(2-methyl-5-phenyl-pyrrol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(2-methyl-5-phenyl-pyrrol-1-yl)benzenesulfonic acid Openeye Name: 4-(2-methyl-5-phenyl-pyrrol-1-yl)benzenesulfonic acid CAS Name: 4-(2-methyl-5-phenyl-1-pyrrolyl)benzenesulfonic acid IUPAC Name: 4-(2-methyl-5-phenylpyrrol-1-yl)benzenesulfonic acid Traditional Name: 4-(2-methyl-5-phenyl-pyrrol-1-yl)besylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO3S/c1-13-7-12-17(14-5-3-2-4-6-14)18(13)15-8-10-16(11-9-15)22(19,20)21/h2-12H,1H3,(H,19,20,21)