2-[(2-azanyl-5-bromanyl-pyridin-1-ium-3-yl)sulfonyl-methyl-amino]-N-[2-(4-chlorophenyl)ethyl]ethanamide

Systemtic Name: 2-[(2-azanyl-5-bromanyl-pyridin-1-ium-3-yl)sulfonyl-methyl-amino]-N-[2-(4-chlorophenyl)ethyl]ethanamide Openeye Name: 2-[(2-amino-5-bromo-pyridin-1-ium-3-yl)sulfonyl-methyl-amino]-N-[2-(4-chlorophenyl)ethyl]acetamide CAS Name: 2-[(2-amino-5-bromo-3-pyridin-1-iumyl)sulfonyl-methylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide IUPAC Name: 2-[(2-amino-5-bromopyridin-1-ium-3-yl)sulfonyl-methylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide Traditional Name: 2-[(2-amino-5-bromo-pyridin-1-ium-3-yl)sulfonyl-methyl-amino]-N-[2-(4-chlorophenyl)ethyl]acetamide Formula: C16H19BrClN4O3S+ MolecularWeight: 462.76906

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC(=C[NH+]=C2N)Br

Isomeric SMILES

CN(CC(=O)NCCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC(=C[NH+]=C2N)Br

InChI

InChI=1S/C16H18BrClN4O3S/c1-22(26(24,25)14-8-12(17)9-21-16(14)19)10-15(23)20-7-6-11-2-4-13(18)5-3-11/h2-5,8-9H,6-7,10H2,1H3,(H2,19,21)(H,20,23)/p+1