1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone hydrochloride

Systemtic Name: 1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone hydrochloride Openeye Name: 1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone hydrochloride CAS Name: 1-[4-methylsulfonyl-2-(1-pyrrolidinylmethyl)-1-piperazinyl]-2-(2-nitrophenyl)ethanone hydrochloride IUPAC Name: 1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone hydrochloride Traditional Name: 1-[4-mesyl-2-(pyrrolidinomethyl)piperazino]-2-(2-nitrophenyl)ethanone hydrochloride Formula: C18H27ClN4O5S MolecularWeight: 446.94878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-].Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-].Cl

InChI

InChI=1S/C18H26N4O5S.ClH/c1-28(26,27)20-10-11-21(16(14-20)13-19-8-4-5-9-19)18(23)12-15-6-2-3-7-17(15)22(24)25;/h2-3,6-7,16H,4-5,8-14H2,1H3;1H