phenyl 3-(2-hydroxyphenyl)-4-(3-iodanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-4-(3-iodanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(2-hydroxyphenyl)-4-(3-iodopiperazin-1-yl)benzenesulfonate CAS Name: 3-(2-hydroxyphenyl)-4-(3-iodo-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-hydroxyphenyl)-4-(3-iodopiperazin-1-yl)benzenesulfonate Traditional Name: 3-(2-hydroxyphenyl)-4-(3-iodopiperazino)benzenesulfonic acid phenyl ester Formula: C22H21IN2O4S MolecularWeight: 536.38261

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)I)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)I)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C22H21IN2O4S/c23-22-15-25(13-12-24-22)20-11-10-17(14-19(20)18-8-4-5-9-21(18)26)30(27,28)29-16-6-2-1-3-7-16/h1-11,14,22,24,26H,12-13,15H2