4-[4-[3-(dimethylamino)-2-methyl-propanoyl]phenoxy]sulfonylbenzoic acid

Systemtic Name: 4-[4-[3-(dimethylamino)-2-methyl-propanoyl]phenoxy]sulfonylbenzoic acid Openeye Name: 4-[4-[3-(dimethylamino)-2-methyl-propanoyl]phenoxy]sulfonylbenzoic acid CAS Name: 4-[4-[3-(dimethylamino)-2-methyl-1-oxopropyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 4-[4-[3-(dimethylamino)-2-methylpropanoyl]phenoxy]sulfonylbenzoic acid Traditional Name: 4-[4-[3-(dimethylamino)-2-methyl-propanoyl]phenoxy]sulfonylbenzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(CN(C)C)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H21NO6S/c1-13(12-20(2)3)18(21)14-4-8-16(9-5-14)26-27(24,25)17-10-6-15(7-11-17)19(22)23/h4-11,13H,12H2,1-3H3,(H,22,23)