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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-piperonyl-benzenesulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c24-21(23-10-3-1-2-4-11-23)17-6-5-7-18(13-17)29(25,26)22-14-16-8-9-19-20(12-16)28-15-27-19/h5-9,12-13,22H,1-4,10-11,14-15H2