3-(3,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)-1-piperazin-1-yl-propan-2-one

Systemtic Name: 3-(3,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)-1-piperazin-1-yl-propan-2-one Openeye Name: 3-(3,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)-1-piperazin-1-yl-propan-2-one CAS Name: 3-(3,4-dichlorophenyl)-1-(3-methylsulfonyl-1-pyrrolidinyl)-1-(1-piperazinyl)-2-propanone IUPAC Name: 3-(3,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-2-one Traditional Name: 3-(3,4-dichlorophenyl)-1-(3-mesylpyrrolidino)-1-piperazino-acetone Formula: C18H25Cl2N3O3S MolecularWeight: 434.3804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCNCC3

Isomeric SMILES

CS(=O)(=O)C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCNCC3

InChI

InChI=1S/C18H25Cl2N3O3S/c1-27(25,26)14-4-7-23(12-14)18(22-8-5-21-6-9-22)17(24)11-13-2-3-15(19)16(20)10-13/h2-3,10,14,18,21H,4-9,11-12H2,1H3