2-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid

Systemtic Name: 2-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Openeye Name: 2-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid CAS Name: 2-[5-(3,4-dichlorophenyl)-2-pyrimidinyl]-3-methyl-2-(1-piperazinylsulfonylmethyl)butanoic acid IUPAC Name: 2-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Traditional Name: 2-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazinosulfonylmethyl)butyric acid Formula: C20H24Cl2N4O4S MolecularWeight: 487.39996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCNCC1)(C2=NC=C(C=N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCNCC1)(C2=NC=C(C=N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H24Cl2N4O4S/c1-13(2)20(19(27)28,12-31(29,30)26-7-5-23-6-8-26)18-24-10-15(11-25-18)14-3-4-16(21)17(22)9-14/h3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,27,28)