azepan-1-ylsulfonyl-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: azepan-1-ylsulfonyl-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: azepan-1-ylsulfonyl-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1-azepanylsulfonyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: azepan-1-ylsulfonyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: azepan-1-ylsulfonyl-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C16H25BrN3O3S+ MolecularWeight: 419.357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](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)/p+1