diphenyl 4-[3-(phenylsulfonyl)piperazin-1-yl]benzene-1,3-disulfonate

Systemtic Name: diphenyl 4-[3-(phenylsulfonyl)piperazin-1-yl]benzene-1,3-disulfonate Openeye Name: diphenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]benzene-1,3-disulfonate CAS Name: 4-[3-(benzenesulfonyl)-1-piperazinyl]benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]benzene-1,3-disulfonate Traditional Name: 4-(3-besylpiperazino)benzene-1,3-disulfonic acid diphenyl ester Formula: C28H26N2O8S3 MolecularWeight: 614.70964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O8S3/c31-39(32,24-14-8-3-9-15-24)28-21-30(19-18-29-28)26-17-16-25(40(33,34)37-22-10-4-1-5-11-22)20-27(26)41(35,36)38-23-12-6-2-7-13-23/h1-17,20,28-29H,18-19,21H2