N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O5S/c1-24(20,21)18(11-16(19)17-8-4-2-3-5-9-17)13-6-7-14-15(10-13)23-12-22-14/h6-7,10H,2-5,8-9,11-12H2,1H3