phenyl 4-(3-iodanylpiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-iodanylpiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-(3-iodopiperazin-1-yl)benzenesulfonate CAS Name: 3-(benzenesulfonyl)-4-(3-iodo-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-(3-iodopiperazin-1-yl)benzenesulfonate Traditional Name: 3-besyl-4-(3-iodopiperazino)benzenesulfonic acid phenyl ester Formula: C22H21IN2O5S2 MolecularWeight: 584.44701

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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)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H21IN2O5S2/c23-22-16-25(14-13-24-22)20-12-11-19(32(28,29)30-17-7-3-1-4-8-17)15-21(20)31(26,27)18-9-5-2-6-10-18/h1-12,15,22,24H,13-14,16H2