4-methyl-2-(phenylsulfonyl)-2-(pyridin-3-ylmethyl)pentanoic acid

Systemtic Name: 4-methyl-2-(phenylsulfonyl)-2-(pyridin-3-ylmethyl)pentanoic acid Openeye Name: 2-(benzenesulfonyl)-4-methyl-2-(3-pyridylmethyl)pentanoic acid CAS Name: 2-(benzenesulfonyl)-4-methyl-2-(3-pyridinylmethyl)pentanoic acid IUPAC Name: 2-(benzenesulfonyl)-4-methyl-2-(pyridin-3-ylmethyl)pentanoic acid Traditional Name: 2-besyl-4-methyl-2-(3-pyridylmethyl)valeric acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CN=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CC1=CN=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S/c1-14(2)11-18(17(20)21,12-15-7-6-10-19-13-15)24(22,23)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,20,21)