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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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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)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N2O7S/c25-22(15-3-6-18(7-4-15)32(26,27)24-9-1-2-10-24)28-13-17-12-20(31-23-17)16-5-8-19-21(11-16)30-14-29-19/h3-8,11-12H,1-2,9-10,13-14H2