[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C19H18N2O6S/c20-10-3-11-21-28(23,24)16-8-6-14(7-9-16)19(22)26-13-15-12-25-17-4-1-2-5-18(17)27-15/h1-2,4-9,15,21H,3,11-13H2/t15-/m0/s1