phenyl 3-(3-bromanylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-bromanylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-bromopiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate CAS Name: 3-(3-bromo-1-piperazinyl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-bromopiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-bromopiperazino)-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C22H22BrN3O8S3 MolecularWeight: 632.52438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H22BrN3O8S3/c23-22-16-26(14-13-24-22)21-15-19(35(27,28)33-17-7-3-1-4-8-17)11-12-20(21)25-36(29,30)37(31,32)34-18-9-5-2-6-10-18/h1-12,15,22,24-25H,13-14,16H2