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

Systemtic Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(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=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c24-20(14-5-10-17-18(12-14)28-13-27-17)22-15-6-8-16(9-7-15)29(25,26)23-19-4-2-1-3-11-21-19/h5-10,12H,1-4,11,13H2,(H,21,23)(H,22,24)