3-(4-methylsulfonylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-pyrrolidin-1-yl-propan-2-one hydrochloride

Systemtic Name: 3-(4-methylsulfonylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-pyrrolidin-1-yl-propan-2-one hydrochloride Openeye Name: 3-(4-methylsulfonylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-pyrrolidin-1-yl-propan-2-one hydrochloride CAS Name: 3-(4-methylsulfonylphenyl)-1-(4-methylsulfonyl-1-piperazinyl)-1-(1-pyrrolidinyl)-2-propanone hydrochloride IUPAC Name: 3-(4-methylsulfonylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-2-one hydrochloride Traditional Name: 3-(4-mesylphenyl)-1-(4-mesylpiperazino)-1-pyrrolidino-acetone hydrochloride Formula: C19H30ClN3O5S2 MolecularWeight: 480.0416

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)C(N2CCCC2)N3CCN(CC3)S(=O)(=O)C.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)C(N2CCCC2)N3CCN(CC3)S(=O)(=O)C.Cl

InChI

InChI=1S/C19H29N3O5S2.ClH/c1-28(24,25)17-7-5-16(6-8-17)15-18(23)19(20-9-3-4-10-20)21-11-13-22(14-12-21)29(2,26)27;/h5-8,19H,3-4,9-15H2,1-2H3;1H