2-[azepan-1-ylsulfonyl(methyl)amino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[1-azepanylsulfonyl(methyl)amino]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C16H24BrN3O3S MolecularWeight: 418.34906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H24BrN3O3S/c1-13-11-14(17)7-8-15(13)18-16(21)12-19(2)24(22,23)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,21)