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

Systemtic Name: 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(1-pyrrolyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzothiazole-6-carboxamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H18N4O3S2/c21-29(26,27)16-6-3-14(4-7-16)9-10-22-19(25)15-5-8-17-18(13-15)28-20(23-17)24-11-1-2-12-24/h1-8,11-13H,9-10H2,(H,22,25)(H2,21,26,27)