5-(methylsulfonylamino)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxy-benzoic acid

Systemtic Name: 5-(methylsulfonylamino)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxy-benzoic acid Openeye Name: 5-(methanesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxy-benzoic acid CAS Name: 5-(methanesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxybenzoic acid IUPAC Name: 5-(methanesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxybenzoic acid Traditional Name: 5-(methanesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxy-benzoic acid Formula: C27H31NO7S MolecularWeight: 513.60254

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2=CC=C(C=C2)OCCCCOC3=CC=CC=C3)NS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=CC=C(C=C2)OCCCCOC3=CC=CC=C3)NS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C27H31NO7S/c1-3-15-35-26-24(18-21(28-36(2,31)32)19-25(26)27(29)30)20-11-13-23(14-12-20)34-17-8-7-16-33-22-9-5-4-6-10-22/h4-6,9-14,18-19,28H,3,7-8,15-17H2,1-2H3,(H,29,30)