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

Systemtic Name: methyl 4-[2-(4-methylsulfonylphenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate hydrochloride Openeye Name: methyl 4-[2-(4-methylsulfonylphenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate hydrochloride CAS Name: 4-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[2-(4-methylsulfonylphenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate hydrochloride Traditional Name: 4-[2-(4-mesylphenyl)acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid methyl ester hydrochloride Formula: C20H30ClN3O5S MolecularWeight: 459.9873

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C20H29N3O5S.ClH/c1-28-20(25)22-11-12-23(17(15-22)14-21-9-3-4-10-21)19(24)13-16-5-7-18(8-6-16)29(2,26)27;/h5-8,17H,3-4,9-15H2,1-2H3;1H