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2-iodanyl-3-[(4-methylphenyl)sulfonylamino]-4-(trimethylazaniumyl)butanoate

2-iodanyl-3-[(4-methylphenyl)sulfonylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name:2-iodanyl-3-[(4-methylphenyl)sulfonylamino]-4-(trimethylazaniumyl)butanoate
Openeye Name:2-iodo-3-(p-tolylsulfonylamino)-4-(trimethylammonio)butanoate
CAS Name:2-iodo-3-[(4-methylphenyl)sulfonylamino]-4-(trimethylammonio)butanoate
IUPAC Name:2-iodo-3-[(4-methylphenyl)sulfonylamino]-4-(trimethylazaniumyl)butanoate
Traditional Name:2-iodo-3-(tosylamino)-4-(trimethylammonio)butyrate
Formula: C14H21IN2O4S
MolecularWeight: 440.29701
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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


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