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

Systemtic Name: phenyl 4-[3-(phenylsulfonyl)piperazin-1-yl]-3-propyl-benzenesulfonate Openeye Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-propyl-benzenesulfonate CAS Name: 4-[3-(benzenesulfonyl)-1-piperazinyl]-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-propylbenzenesulfonate Traditional Name: 4-(3-besylpiperazino)-3-propyl-benzenesulfonic acid phenyl ester Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O5S2/c1-2-9-20-18-23(34(30,31)32-21-10-5-3-6-11-21)14-15-24(20)27-17-16-26-25(19-27)33(28,29)22-12-7-4-8-13-22/h3-8,10-15,18,25-26H,2,9,16-17,19H2,1H3