phenyl 4-[1-(3-iodanylpiperazin-1-yl)-2-(methoxyamino)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[1-(3-iodanylpiperazin-1-yl)-2-(methoxyamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-iodopiperazin-1-yl)-2-(methoxyamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-iodo-1-piperazinyl)-2-(methoxyamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-iodopiperazin-1-yl)-2-(methoxyamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-iodopiperazino)-2-(methoxyamino)ethyl]benzenesulfonic acid phenyl ester Formula: C19H24IN3O4S MolecularWeight: 517.38103

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Descriptors Computed from Structure

Canonical SMILES:

CONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)I

Isomeric SMILES

CONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)I

InChI

InChI=1S/C19H24IN3O4S/c1-26-22-13-18(23-12-11-21-19(20)14-23)15-7-9-17(10-8-15)28(24,25)27-16-5-3-2-4-6-16/h2-10,18-19,21-22H,11-14H2,1H3