3,4-dimethyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-[4-(2-oxo-1-pyrrolidinyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonylbenzoic acid Traditional Name: 3-[4-(2-ketopyrrolidino)phenoxy]sulfonyl-4,5-dimethyl-benzoic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O)C

InChI

InChI=1S/C19H19NO6S/c1-12-10-14(19(22)23)11-17(13(12)2)27(24,25)26-16-7-5-15(6-8-16)20-9-3-4-18(20)21/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23)