phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 3-isopropylsulfonyl-4-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 4-[3-(methylthio)-1-piperazinyl]-3-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 3-isopropylsulfonyl-4-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C20H26N2O5S3 MolecularWeight: 470.62584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S3/c1-15(2)29(23,24)19-13-17(30(25,26)27-16-7-5-4-6-8-16)9-10-18(19)22-12-11-21-20(14-22)28-3/h4-10,13,15,20-21H,11-12,14H2,1-3H3