4-[4-[3-[(4-dimethylaminophenyl)carbonylamino]propoxy]phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[3-[(4-dimethylaminophenyl)carbonylamino]propoxy]phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-[3-[[4-(dimethylamino)benzoyl]amino]propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[4-[3-[[(4-dimethylaminophenyl)-oxomethyl]amino]propoxy]phenyl]sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-[4-[3-[[4-(dimethylamino)benzoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[3-[[4-(dimethylamino)benzoyl]amino]propoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NCCCOC2=CC=C(C=C2)S(=O)(=O)C3(CCOCC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NCCCOC2=CC=C(C=C2)S(=O)(=O)C3(CCOCC3)C(=O)O

InChI

InChI=1S/C24H30N2O7S/c1-26(2)19-6-4-18(5-7-19)22(27)25-14-3-15-33-20-8-10-21(11-9-20)34(30,31)24(23(28)29)12-16-32-17-13-24/h4-11H,3,12-17H2,1-2H3,(H,25,27)(H,28,29)