phenyl 4-[4-phenoxysulfonyl-2-(phenylsulfonyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-phenoxysulfonyl-2-(phenylsulfonyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzenesulfonyl)-4-phenoxysulfonyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(benzenesulfonyl)-4-phenoxysulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonyl)-4-phenoxysulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-(2-besyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C28H26N2O8S3 MolecularWeight: 614.70964

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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)C5=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)C5=CC=CC=C5

InChI

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