3-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-phenylazanyl-benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-phenylazanyl-benzoic acid Openeye Name: 3-anilino-5-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-benzoic acid CAS Name: 3-anilino-5-[(2,5-dimethyl-1-pyrrolyl)sulfonyl]-4-phenoxybenzoic acid IUPAC Name: 3-anilino-5-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxybenzoic acid Traditional Name: 3-anilino-5-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenoxy-benzoic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H22N2O5S/c1-17-13-14-18(2)27(17)33(30,31)23-16-19(25(28)29)15-22(26-20-9-5-3-6-10-20)24(23)32-21-11-7-4-8-12-21/h3-16,26H,1-2H3,(H,28,29)