2-(2,5-dimethylpyrrol-1-yl)-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(4-sulfamoylbenzyl)-1,3-benzothiazole-6-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C21H20N4O3S2/c1-13-3-4-14(2)25(13)21-24-18-10-7-16(11-19(18)29-21)20(26)23-12-15-5-8-17(9-6-15)30(22,27)28/h3-11H,12H2,1-2H3,(H,23,26)(H2,22,27,28)