N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-piperonylamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O5S/c24-20(14-8-9-17-18(11-14)28-13-27-17)22-15-5-4-6-16(12-15)29(25,26)23-19-7-2-1-3-10-21-19/h4-6,8-9,11-12H,1-3,7,10,13H2,(H,21,23)(H,22,24)