3-(azepan-1-ylcarbonyl)-N-(2-dimethylaminoethyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-dimethylaminoethyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-dimethylaminoethyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-dimethylaminoethyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-dimethylaminoethyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-dimethylaminoethyl)-4-methoxy-benzenesulfonamide Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

InChI

InChI=1S/C18H29N3O4S/c1-20(2)13-10-19-26(23,24)15-8-9-17(25-3)16(14-15)18(22)21-11-6-4-5-7-12-21/h8-9,14,19H,4-7,10-13H2,1-3H3