2-[4-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(4-bromo-3-methyl-phenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4-bromo-3-methylphenyl)sulfonylamino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(4-bromo-3-methylphenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(4-bromo-3-methyl-phenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C20H24BrN3O3S/c1-15-13-18(7-8-19(15)21)28(26,27)23-17-9-11-24(12-10-17)14-20(25)22-16-5-3-2-4-6-16/h2-8,13,17,23H,9-12,14H2,1H3,(H,22,25)/p+1