phenyl 3-phenyl-4-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 3-phenyl-4-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-phenyl-benzenesulfonate CAS Name: 4-[3-(benzenesulfonyl)-1-piperazinyl]-3-phenylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-phenylbenzenesulfonate Traditional Name: 4-(3-besylpiperazino)-3-phenyl-benzenesulfonic acid phenyl ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O5S2/c31-36(32,24-14-8-3-9-15-24)28-21-30(19-18-29-28)27-17-16-25(20-26(27)22-10-4-1-5-11-22)37(33,34)35-23-12-6-2-7-13-23/h1-17,20,28-29H,18-19,21H2