3-[[4-(4-chloranylphenoxy)phenyl]sulfonylamino]-6-ethoxy-oxane-3-carboxylic acid

Systemtic Name: 3-[[4-(4-chloranylphenoxy)phenyl]sulfonylamino]-6-ethoxy-oxane-3-carboxylic acid Openeye Name: 3-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-6-ethoxy-tetrahydropyran-3-carboxylic acid CAS Name: 3-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-6-ethoxy-3-oxanecarboxylic acid IUPAC Name: 3-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-6-ethoxyoxane-3-carboxylic acid Traditional Name: 3-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-6-ethoxy-tetrahydropyran-3-carboxylic acid Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CO1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1CCC(CO1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO7S/c1-2-27-18-11-12-20(13-28-18,19(23)24)22-30(25,26)17-9-7-16(8-10-17)29-15-5-3-14(21)4-6-15/h3-10,18,22H,2,11-13H2,1H3,(H,23,24)