[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl ester Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H22N2O7S/c26-23(16-3-6-19(7-4-16)33(27,28)25-9-1-2-10-25)31-15-18-14-21(32-24-18)17-5-8-20-22(13-17)30-12-11-29-20/h3-8,13-14H,1-2,9-12,15H2