3-(azepan-1-ylcarbonyl)-N-(2,4-dimethylpentan-3-yl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2,4-dimethylpentan-3-yl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(1-isopropyl-2-methyl-propyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(1-isopropyl-2-methyl-propyl)-4-methoxy-benzenesulfonamide Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)NS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(C(C)C)NS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

InChI

InChI=1S/C21H34N2O4S/c1-15(2)20(16(3)4)22-28(25,26)17-10-11-19(27-5)18(14-17)21(24)23-12-8-6-7-9-13-23/h10-11,14-16,20,22H,6-9,12-13H2,1-5H3