phenyl 4-[2-(iodanylamino)-1-[3-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(iodanylamino)-1-[3-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-benzylpiperazin-1-yl)-2-(iodoamino)ethyl]benzenesulfonate CAS Name: 4-[2-(iodoamino)-1-[3-(phenylmethyl)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-benzylpiperazin-1-yl)-2-(iodoamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-benzylpiperazino)-2-(iodoamino)ethyl]benzenesulfonic acid phenyl ester Formula: C25H28IN3O3S MolecularWeight: 577.47759

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C(CNI)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C(CNI)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H28IN3O3S/c26-28-18-25(29-16-15-27-22(19-29)17-20-7-3-1-4-8-20)21-11-13-24(14-12-21)33(30,31)32-23-9-5-2-6-10-23/h1-14,22,25,27-28H,15-19H2