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

Systemtic Name: phenyl 3-methyl-4-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-methyl-benzenesulfonate CAS Name: 4-[3-(benzenesulfonyl)-1-piperazinyl]-3-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-methylbenzenesulfonate Traditional Name: 4-(3-besylpiperazino)-3-methyl-benzenesulfonic acid phenyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5S2/c1-18-16-21(32(28,29)30-19-8-4-2-5-9-19)12-13-22(18)25-15-14-24-23(17-25)31(26,27)20-10-6-3-7-11-20/h2-13,16,23-24H,14-15,17H2,1H3