[4-(4-cyclopropylcarbonylpiperazin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-cyclopropylcarbonylpiperazin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]sulfonyl]phenyl] ester IUPAC Name: [4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[4-(cyclopropanecarbonyl)piperazino]sulfonylphenyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H24N2O6S2/c1-16-2-8-20(9-3-16)31(27,28)29-18-6-10-19(11-7-18)30(25,26)23-14-12-22(13-15-23)21(24)17-4-5-17/h2-3,6-11,17H,4-5,12-15H2,1H3