N-[5-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: N-[5-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Openeye Name: N-[5-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: N-[5-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-[5-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Traditional Name: N-[5-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S2/c25-19(14-7-3-1-4-8-14)23-20-22-16-13-15(10-11-17(16)28-20)29(26,27)24-18-9-5-2-6-12-21-18/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2,(H,21,24)(H,22,23,25)