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

Systemtic Name: 3-[4-(4-phenoxybutoxy)phenyl]-5-(phenylsulfonylamino)-2-propoxy-benzoic acid Openeye Name: 5-(benzenesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxy-benzoic acid CAS Name: 5-(benzenesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxybenzoic acid IUPAC Name: 5-(benzenesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxybenzoic acid Traditional Name: 5-(benzenesulfonamido)-3-[4-(4-phenoxybutoxy)phenyl]-2-propoxy-benzoic acid Formula: C32H33NO7S MolecularWeight: 575.67192

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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)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=CC=C(C=C2)OCCCCOC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H33NO7S/c1-2-19-40-31-29(22-25(23-30(31)32(34)35)33-41(36,37)28-13-7-4-8-14-28)24-15-17-27(18-16-24)39-21-10-9-20-38-26-11-5-3-6-12-26/h3-8,11-18,22-23,33H,2,9-10,19-21H2,1H3,(H,34,35)