1-(4-cyclopentylpiperazin-1-yl)-4-(4-methylsulfonylphenyl)butane-1,4-dione hydrochloride

Systemtic Name: 1-(4-cyclopentylpiperazin-1-yl)-4-(4-methylsulfonylphenyl)butane-1,4-dione hydrochloride Openeye Name: 1-(4-cyclopentylpiperazin-1-yl)-4-(4-methylsulfonylphenyl)butane-1,4-dione hydrochloride CAS Name: 1-(4-cyclopentyl-1-piperazinyl)-4-(4-methylsulfonylphenyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(4-cyclopentylpiperazin-1-yl)-4-(4-methylsulfonylphenyl)butane-1,4-dione hydrochloride Traditional Name: 1-(4-cyclopentylpiperazino)-4-(4-mesylphenyl)butane-1,4-dione hydrochloride Formula: C20H29ClN2O4S MolecularWeight: 428.97326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCC3.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCC3.Cl

InChI

InChI=1S/C20H28N2O4S.ClH/c1-27(25,26)18-8-6-16(7-9-18)19(23)10-11-20(24)22-14-12-21(13-15-22)17-4-2-3-5-17;/h6-9,17H,2-5,10-15H2,1H3;1H