(3-methoxycarbonylphenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid (3-carbomethoxybenzyl) ester Formula: C21H22ClNO7S MolecularWeight: 467.91988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C21H22ClNO7S/c1-28-20(24)15-5-2-4-14(10-15)13-30-21(25)16-7-8-18(22)19(11-16)31(26,27)23-12-17-6-3-9-29-17/h2,4-5,7-8,10-11,17,23H,3,6,9,12-13H2,1H3