(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O5S/c24-20(27-14-18-21-19(22-28-18)15-6-2-1-3-7-15)16-8-10-17(11-9-16)29(25,26)23-12-4-5-13-23/h1-3,6-11H,4-5,12-14H2