benzoic acid; N-[3-(furan-2-ylmethylamino)-2-oxidanyl-propyl]-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: benzoic acid; N-[3-(furan-2-ylmethylamino)-2-oxidanyl-propyl]-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: benzoic acid; N-[3-(2-furylmethylamino)-2-hydroxy-propyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: benzoic acid; N-[3-(2-furanylmethylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: benzoic acid; N-[3-(furan-2-ylmethylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: benzoic acid; N-[3-(2-furfurylamino)-2-hydroxy-propyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(CNCC2=CC=CO2)O)S(=O)(=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N(CC(CNCC2=CC=CO2)O)S(=O)(=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C21H24N2O5S.C7H6O2/c1-27-21-12-6-5-11-20(21)23(29(25,26)19-9-3-2-4-10-19)16-17(24)14-22-15-18-8-7-13-28-18;8-7(9)6-4-2-1-3-5-6/h2-13,17,22,24H,14-16H2,1H3;1-5H,(H,8,9)