diphenyl 4-(3-phenoxysulfonylpiperazin-1-yl)benzene-1,3-disulfonate

Systemtic Name: diphenyl 4-(3-phenoxysulfonylpiperazin-1-yl)benzene-1,3-disulfonate Openeye Name: diphenyl 4-(3-phenoxysulfonylpiperazin-1-yl)benzene-1,3-disulfonate CAS Name: 4-(3-phenoxysulfonyl-1-piperazinyl)benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-(3-phenoxysulfonylpiperazin-1-yl)benzene-1,3-disulfonate Traditional Name: 4-(3-phenoxysulfonylpiperazino)benzene-1,3-disulfonic acid diphenyl ester Formula: C28H26N2O9S3 MolecularWeight: 630.70904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=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)OC2=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/C28H26N2O9S3/c31-40(32,37-22-10-4-1-5-11-22)25-16-17-26(27(20-25)41(33,34)38-23-12-6-2-7-13-23)30-19-18-29-28(21-30)42(35,36)39-24-14-8-3-9-15-24/h1-17,20,28-29H,18-19,21H2