3-(2,5-dihydropyrrol-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2,5-dihydropyrrol-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dihydropyrrol-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dihydropyrrol-1-yl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dihydropyrrol-1-yl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-methylphenoxy)-3-(3-pyrrolin-1-yl)-5-sulfamoyl-benzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CC=CC3

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CC=CC3

InChI

InChI=1S/C18H18N2O5S/c1-12-4-6-14(7-5-12)25-17-15(20-8-2-3-9-20)10-13(18(21)22)11-16(17)26(19,23)24/h2-7,10-11H,8-9H2,1H3,(H,21,22)(H2,19,23,24)