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

Systemtic Name: 2-chloranyl-4-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 2-chloro-4-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 2-chloro-4-[[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 2-chloro-4-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 2-chloro-4-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methyleneamino]benzoic acid Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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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(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4S/c1-12-9-14(11-23-15-3-8-18(20(25)26)19(21)10-15)13(2)24(12)16-4-6-17(7-5-16)29(22,27)28/h3-11H,1-2H3,(H,25,26)(H2,22,27,28)