4-methyl-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[4-(2-oxo-1-pyrrolidinyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonylbenzoic acid Traditional Name: 3-[4-(2-ketopyrrolidino)phenoxy]sulfonyl-4-methyl-benzoic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S/c1-12-4-5-13(18(21)22)11-16(12)26(23,24)25-15-8-6-14(7-9-15)19-10-2-3-17(19)20/h4-9,11H,2-3,10H2,1H3,(H,21,22)