[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H23NO7S/c1-15-6-7-16(2)21(13-15)32(27,28)31-19-10-8-18(9-11-19)23(26)30-17(3)22(25)24-14-20-5-4-12-29-20/h4-13,17H,14H2,1-3H3,(H,24,25)