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

Systemtic Name: 2-[5-(4-fluorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Openeye Name: 2-[5-(4-fluorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid CAS Name: 2-[5-(4-fluorophenyl)-2-pyrimidinyl]-3-methyl-2-(1-piperazinylsulfonylmethyl)butanoic acid IUPAC Name: 2-[5-(4-fluorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Traditional Name: 2-[5-(4-fluorophenyl)pyrimidin-2-yl]-3-methyl-2-(piperazinosulfonylmethyl)butyric acid Formula: C20H25FN4O4S MolecularWeight: 436.500303

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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)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O4S/c1-14(2)20(19(26)27,13-30(28,29)25-9-7-22-8-10-25)18-23-11-16(12-24-18)15-3-5-17(21)6-4-15/h3-6,11-12,14,22H,7-10,13H2,1-2H3,(H,26,27)