phenyl N-[2-(3-iodanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-iodanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-iodopiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamate CAS Name: N-[2-(3-iodo-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-iodopiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-iodopiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamic acid phenyl ester Formula: C21H28IN3O5S2 MolecularWeight: 593.49859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28IN3O5S2/c1-16(2)31(26,27)19-10-8-17(9-11-19)20(25-13-12-23-21(22)15-25)14-24-32(28,29)30-18-6-4-3-5-7-18/h3-11,16,20-21,23-24H,12-15H2,1-2H3