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

Systemtic Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]-4-methyl-benzoic acid Openeye Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methyleneamino]-4-methyl-benzoic acid CAS Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]methylideneamino]-4-methylbenzoic acid IUPAC Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]-4-methylbenzoic acid Traditional Name: 3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methyleneamino]-4-methyl-benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H21N3O4S/c1-13-4-5-16(21(25)26)11-20(13)23-12-17-10-14(2)24(15(17)3)18-6-8-19(9-7-18)29(22,27)28/h4-12H,1-3H3,(H,25,26)(H2,22,27,28)