1-[4-ethanoyl-2-(pyrrolidin-2-ylmethoxymethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride

Systemtic Name: 1-[4-ethanoyl-2-(pyrrolidin-2-ylmethoxymethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride Openeye Name: 1-[4-acetyl-2-(pyrrolidin-2-ylmethoxymethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride CAS Name: 1-[4-acetyl-2-(2-pyrrolidinylmethoxymethyl)-1-piperazinyl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride IUPAC Name: 1-[4-acetyl-2-(pyrrolidin-2-ylmethoxymethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride Traditional Name: 1-[4-acetyl-2-(pyrrolidin-2-ylmethoxymethyl)piperazino]-2-(4-mesylphenyl)ethanone hydrochloride Formula: C21H32ClN3O5S MolecularWeight: 474.01388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)COCC2CCCN2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CC(=O)N1CCN(C(C1)COCC2CCCN2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C21H31N3O5S.ClH/c1-16(25)23-10-11-24(19(13-23)15-29-14-18-4-3-9-22-18)21(26)12-17-5-7-20(8-6-17)30(2,27)28;/h5-8,18-19,22H,3-4,9-15H2,1-2H3;1H