4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-piperonyl-benzenesulfonamide Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O6S2/c23-29(24,21-14-16-5-10-19-20(13-16)28-15-27-19)17-6-8-18(9-7-17)30(25,26)22-11-3-1-2-4-12-22/h5-10,13,21H,1-4,11-12,14-15H2