3-cyanopropyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: 3-cyanopropyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: 3-cyanopropyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid 3-cyanopropyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCCCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCCCC#N

InChI

InChI=1S/C19H18N2O6S/c20-9-1-2-10-27-19(22)14-3-5-15(6-4-14)21-28(23,24)16-7-8-17-18(13-16)26-12-11-25-17/h3-8,13,21H,1-2,10-12H2