N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H16N4O3S2/c23-18(12-6-7-15-16(9-12)26-11-20-15)21-13-3-1-4-14(10-13)27(24,25)22-17-5-2-8-19-17/h1,3-4,6-7,9-11H,2,5,8H2,(H,19,22)(H,21,23)