2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C16H25BrN3O4S+ MolecularWeight: 435.3564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C)Br

InChI

InChI=1S/C16H24BrN3O4S/c1-13-11-14(3-4-15(13)17)20(25(2,22)23)12-16(21)18-5-6-19-7-9-24-10-8-19/h3-4,11H,5-10,12H2,1-2H3,(H,18,21)/p+1