(2S)-4-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: (2S)-4-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: (2S)-4-[4-(4-chlorophenyl)sulfonyl-1-piperidyl]-2-isopropyl-4-oxo-butanoic acid CAS Name: (2S)-4-[4-(4-chlorophenyl)sulfonyl-1-piperidinyl]-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: (2S)-4-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: (2S)-4-[4-(4-chlorophenyl)sulfonylpiperidino]-2-isopropyl-4-keto-butyric acid Formula: C18H24ClNO5S MolecularWeight: 401.90486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)N1CCC(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)[C@H](CC(=O)N1CCC(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H24ClNO5S/c1-12(2)16(18(22)23)11-17(21)20-9-7-15(8-10-20)26(24,25)14-5-3-13(19)4-6-14/h3-6,12,15-16H,7-11H2,1-2H3,(H,22,23)/t16-/m0/s1