4-[(2Z)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-pentylsulfonylimino-ethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(2Z)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-pentylsulfonylimino-ethoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[(2Z)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-pentylsulfonylimino-ethoxy]-2-hydroxy-benzoic acid CAS Name: 4-[(2Z)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-pentylsulfonyliminoethoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[(2Z)-2-[3-tert-butyl-4-(diethylamino)phenyl]-2-pentylsulfonyliminoethoxy]-2-hydroxybenzoic acid Traditional Name: 4-[(2Z)-2-amylsulfonylimino-2-[3-tert-butyl-4-(diethylamino)phenyl]ethoxy]-2-hydroxy-benzoic acid Formula: C28H40N2O6S MolecularWeight: 532.692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)N=C(COC1=CC(=C(C=C1)C(=O)O)O)C2=CC(=C(C=C2)N(CC)CC)C(C)(C)C

Isomeric SMILES

CCCCCS(=O)(=O)/N=C(\COC1=CC(=C(C=C1)C(=O)O)O)/C2=CC(=C(C=C2)N(CC)CC)C(C)(C)C

InChI

InChI=1S/C28H40N2O6S/c1-7-10-11-16-37(34,35)29-24(19-36-21-13-14-22(27(32)33)26(31)18-21)20-12-15-25(30(8-2)9-3)23(17-20)28(4,5)6/h12-15,17-18,31H,7-11,16,19H2,1-6H3,(H,32,33)/b29-24+