3-(2-ethyl-5-methyl-pyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid

Systemtic Name: 3-(2-ethyl-5-methyl-pyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid Openeye Name: 3-(2-ethyl-5-methyl-pyrrol-1-yl)sulfonyl-4-phenoxy-5-(3-thienylmethylamino)benzoic acid CAS Name: 3-[(2-ethyl-5-methyl-1-pyrrolyl)sulfonyl]-4-phenoxy-5-(3-thiophenylmethylamino)benzoic acid IUPAC Name: 3-(2-ethyl-5-methylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid Traditional Name: 3-(2-ethyl-5-methyl-pyrrol-1-yl)sulfonyl-4-phenoxy-5-(3-thenylamino)benzoic acid Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NCC4=CSC=C4)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NCC4=CSC=C4)C(=O)O)C

InChI

InChI=1S/C25H24N2O5S2/c1-3-20-10-9-17(2)27(20)34(30,31)23-14-19(25(28)29)13-22(26-15-18-11-12-33-16-18)24(23)32-21-7-5-4-6-8-21/h4-14,16,26H,3,15H2,1-2H3,(H,28,29)