N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-bromanyl-3-methyl-phenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-bromanyl-3-methyl-phenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-bromo-3-methyl-phenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-bromo-3-methylphenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-bromo-3-methylphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-bromo-3-methyl-phenyl)methanesulfonamide Formula: C16H23BrN2O3S MolecularWeight: 403.33442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C)Br

InChI

InChI=1S/C16H23BrN2O3S/c1-13-11-14(7-8-15(13)17)19(23(2,21)22)12-16(20)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3