methyl 4-[2-(4-methylsulfonylphenyl)ethanoyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[2-(4-methylsulfonylphenyl)ethanoyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylate hydrochloride Openeye Name: methyl 4-[2-(4-methylsulfonylphenyl)acetyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylate hydrochloride CAS Name: 4-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-3-(2-pyrrolidinylmethoxymethyl)-1-piperazinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[2-(4-methylsulfonylphenyl)acetyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylate hydrochloride Traditional Name: 4-[2-(4-mesylphenyl)acetyl]-3-(pyrrolidin-2-ylmethoxymethyl)piperazine-1-carboxylic acid methyl ester hydrochloride Formula: C21H32ClN3O6S MolecularWeight: 490.01328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S.ClH/c1-29-21(26)23-10-11-24(18(13-23)15-30-14-17-4-3-9-22-17)20(25)12-16-5-7-19(8-6-16)31(2,27)28;/h5-8,17-18,22H,3-4,9-15H2,1-2H3;1H