3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methyleneamino]benzoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C=NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C=NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H19N3O4S/c1-13-10-16(12-22-17-5-3-4-15(11-17)20(24)25)14(2)23(13)18-6-8-19(9-7-18)28(21,26)27/h3-12H,1-2H3,(H,24,25)(H2,21,26,27)