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

Systemtic Name: 2-(4-methylsulfonylphenyl)-1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methylsulfonylphenyl)-1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-methylsulfonylphenyl)-1-[4-methylsulfonyl-2-(1-pyrrolidinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylsulfonylphenyl)-1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-mesylphenyl)-1-[4-mesyl-2-(pyrrolidinomethyl)piperazino]ethanone Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2CN3CCCC3)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2CN3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S2/c1-28(24,25)18-7-5-16(6-8-18)13-19(23)22-12-11-21(29(2,26)27)15-17(22)14-20-9-3-4-10-20/h5-8,17H,3-4,9-15H2,1-2H3