[3-iodanyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [3-iodanyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-hydroxy-3-iodo-4-oxo-2-(p-tolylsulfonylamino)butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-3-iodo-2-[(4-methylphenyl)sulfonylamino]-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-3-iodo-2-[(4-methylphenyl)sulfonylamino]-4-oxobutyl]-trimethylazanium Traditional Name: [4-hydroxy-3-iodo-4-keto-2-(tosylamino)butyl]-trimethyl-ammonium Formula: C14H22IN2O4S+ MolecularWeight: 441.30495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C[N+](C)(C)C)C(C(=O)O)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C[N+](C)(C)C)C(C(=O)O)I

InChI

InChI=1S/C14H21IN2O4S/c1-10-5-7-11(8-6-10)22(20,21)16-12(9-17(2,3)4)13(15)14(18)19/h5-8,12-13,16H,9H2,1-4H3/p+1