2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxo-ethylidene]pyrrolidin-1-yl]acetic acid CAS Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]acetic acid Traditional Name: 2-[(2E)-2-[2-keto-2-(4-mesylphenyl)ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C/C(=C\C(=O)C2=CC=C(C=C2)S(=O)(=O)C)/N(C1)CC(=O)O)C

InChI

InChI=1S/C17H21NO5S/c1-17(2)9-13(18(11-17)10-16(20)21)8-15(19)12-4-6-14(7-5-12)24(3,22)23/h4-8H,9-11H2,1-3H3,(H,20,21)/b13-8+