3-[[(E)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methoxyphenoxy)benzoic acid

Systemtic Name: 3-[[(E)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methoxyphenoxy)benzoic acid Openeye Name: 3-[[(E)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methoxyphenoxy)benzoic acid CAS Name: 3-[[(E)-dimethylamino(2-pyrrolylidene)methyl]sulfamoyl]-4-(3-methoxyphenoxy)benzoic acid IUPAC Name: 3-[[(E)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methoxyphenoxy)benzoic acid Traditional Name: 3-[[(E)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methoxyphenoxy)benzoic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=C1C=CC=N1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)/C(=C\1/C=CC=N1)/NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H21N3O6S/c1-24(2)20(17-8-5-11-22-17)23-31(27,28)19-12-14(21(25)26)9-10-18(19)30-16-7-4-6-15(13-16)29-3/h4-13,23H,1-3H3,(H,25,26)/b20-17-