3-[[(Z)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methylphenoxy)benzoic acid

Systemtic Name: 3-[[(Z)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methylphenoxy)benzoic acid Openeye Name: 3-[[(Z)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methylphenoxy)benzoic acid CAS Name: 3-[[(Z)-dimethylamino(2-pyrrolylidene)methyl]sulfamoyl]-4-(3-methylphenoxy)benzoic acid IUPAC Name: 3-[[(Z)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methylphenoxy)benzoic acid Traditional Name: 3-[[(Z)-dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]-4-(3-methylphenoxy)benzoic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)NC(=C3C=CC=N3)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N/C(=C\3/C=CC=N3)/N(C)C

InChI

InChI=1S/C21H21N3O5S/c1-14-6-4-7-16(12-14)29-18-10-9-15(21(25)26)13-19(18)30(27,28)23-20(24(2)3)17-8-5-11-22-17/h4-13,23H,1-3H3,(H,25,26)/b20-17+