phenyl 5-methoxy-2-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 5-methoxy-2-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-methoxy-benzenesulfonate CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-5-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-methoxybenzenesulfonate Traditional Name: 2-(3-besylpiperazino)-5-methoxy-benzenesulfonic acid phenyl ester Formula: C23H24N2O6S2 MolecularWeight: 488.57646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O6S2/c1-30-19-12-13-21(22(16-19)33(28,29)31-18-8-4-2-5-9-18)25-15-14-24-23(17-25)32(26,27)20-10-6-3-7-11-20/h2-13,16,23-24H,14-15,17H2,1H3