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

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C22H22N4O3S2/c1-14-3-4-15(2)26(14)22-25-19-10-7-17(13-20(19)30-22)21(27)24-12-11-16-5-8-18(9-6-16)31(23,28)29/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H2,23,28,29)