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

Systemtic Name: [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(4-chlorophenyl)isoxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [5-(4-chlorophenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-(4-chlorophenyl)isoxazol-3-yl]methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S/c22-17-7-3-15(4-8-17)20-13-18(23-29-20)14-28-21(25)16-5-9-19(10-6-16)30(26,27)24-11-1-2-12-24/h3-10,13H,1-2,11-12,14H2