1-[4-ethanoyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride

Systemtic Name: 1-[4-ethanoyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride Openeye Name: 1-[4-acetyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride CAS Name: 1-[4-acetyl-3-(1-pyrrolidinylmethyl)-1-piperazinyl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride IUPAC Name: 1-[4-acetyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone hydrochloride Traditional Name: 1-[4-acetyl-3-(pyrrolidinomethyl)piperazino]-2-(4-mesylphenyl)ethanone hydrochloride Formula: C20H30ClN3O4S MolecularWeight: 443.9879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1CN2CCCC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CC(=O)N1CCN(CC1CN2CCCC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C20H29N3O4S.ClH/c1-16(24)23-12-11-22(15-18(23)14-21-9-3-4-10-21)20(25)13-17-5-7-19(8-6-17)28(2,26)27;/h5-8,18H,3-4,9-15H2,1-2H3;1H