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

Systemtic Name: phenyl 3-ethyl-4-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-ethyl-benzenesulfonate CAS Name: 4-[3-(benzenesulfonyl)-1-piperazinyl]-3-ethylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-ethylbenzenesulfonate Traditional Name: 4-(3-besylpiperazino)-3-ethyl-benzenesulfonic acid phenyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S2/c1-2-19-17-22(33(29,30)31-20-9-5-3-6-10-20)13-14-23(19)26-16-15-25-24(18-26)32(27,28)21-11-7-4-8-12-21/h3-14,17,24-25H,2,15-16,18H2,1H3