3-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid Openeye Name: 3-(benzylamino)-5-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-benzoic acid CAS Name: 3-[(2,5-dimethyl-1-pyrrolyl)sulfonyl]-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid IUPAC Name: 3-(benzylamino)-5-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxybenzoic acid Traditional Name: 3-(benzylamino)-5-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-benzoic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NCC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NCC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C26H24N2O5S/c1-18-13-14-19(2)28(18)34(31,32)24-16-21(26(29)30)15-23(27-17-20-9-5-3-6-10-20)25(24)33-22-11-7-4-8-12-22/h3-16,27H,17H2,1-2H3,(H,29,30)