2-(benzotriazol-1-yloxy)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yloxy)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(benzotriazol-1-yloxy)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-benzotriazolyloxy)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(benzotriazol-1-yloxy)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(benzotriazol-1-yloxy)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CON3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22N6O4S/c27-20(14-30-26-18-10-4-3-9-17(18)23-25-26)22-15-7-6-8-16(13-15)31(28,29)24-19-11-2-1-5-12-21-19/h3-4,6-10,13H,1-2,5,11-12,14H2,(H,21,24)(H,22,27)