(1Z)-N-[4-(2-iodanylethanoylamino)phenyl]sulfonyl-2-(trimethylazaniumyl)ethanimidate

Systemtic Name: (1Z)-N-[4-(2-iodanylethanoylamino)phenyl]sulfonyl-2-(trimethylazaniumyl)ethanimidate Openeye Name: (1Z)-N-[4-[(2-iodoacetyl)amino]phenyl]sulfonyl-2-(trimethylammonio)ethanimidate CAS Name: (1Z)-N-[4-[(2-iodo-1-oxoethyl)amino]phenyl]sulfonyl-2-(trimethylammonio)ethanimidate IUPAC Name: (1Z)-N-[4-[(2-iodoacetyl)amino]phenyl]sulfonyl-2-(trimethylazaniumyl)ethanimidate Traditional Name: (1Z)-N-[4-[(2-iodoacetyl)amino]phenyl]sulfonyl-2-(trimethylammonio)acetimidate Formula: C13H18IN3O4S MolecularWeight: 439.26919

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CI)[O-]

Isomeric SMILES

C[N+](C)(C)C/C(=N/S(=O)(=O)C1=CC=C(C=C1)NC(=O)CI)/[O-]

InChI

InChI=1S/C13H18IN3O4S/c1-17(2,3)9-13(19)16-22(20,21)11-6-4-10(5-7-11)15-12(18)8-14/h4-7H,8-9H2,1-3H3,(H-,15,16,18,19)