3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid

Systemtic Name: 3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid Openeye Name: 3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(3-thienylmethylamino)benzoic acid CAS Name: 3-[(2,5-diethyl-1-pyrrolyl)sulfonyl]-4-phenoxy-5-(3-thiophenylmethylamino)benzoic acid IUPAC Name: 3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid Traditional Name: 3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(3-thenylamino)benzoic acid Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S2/c1-3-20-10-11-21(4-2)28(20)35(31,32)24-15-19(26(29)30)14-23(27-16-18-12-13-34-17-18)25(24)33-22-8-6-5-7-9-22/h5-15,17,27H,3-4,16H2,1-2H3,(H,29,30)