2-(3,4-dichlorophenyl)-1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dichlorophenyl)-1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dichlorophenyl)-1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dichlorophenyl)-1-[4-methylsulfonyl-2-(1-pyrrolidinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dichlorophenyl)-1-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dichlorophenyl)-1-[4-mesyl-2-(pyrrolidinomethyl)piperazino]ethanone Formula: C18H25Cl2N3O3S MolecularWeight: 434.3804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H25Cl2N3O3S/c1-27(25,26)22-8-9-23(15(13-22)12-21-6-2-3-7-21)18(24)11-14-4-5-16(19)17(20)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3