4-(azepan-1-ylsulfonyl)-N-(3,3-dimethyl-2-oxidanylidene-butyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3,3-dimethyl-2-oxidanylidene-butyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3,3-dimethyl-2-oxo-butyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-keto-3,3-dimethyl-butyl)benzenesulfonamide Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C(=O)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H28N2O5S2/c1-18(2,3)17(21)14-19-26(22,23)15-8-10-16(11-9-15)27(24,25)20-12-6-4-5-7-13-20/h8-11,19H,4-7,12-14H2,1-3H3