(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O5S2/c1-28-19-10-9-17(13-20(19)31(26,27)24-11-5-6-12-24)22(25)29-14-18-15-30-21(23-18)16-7-3-2-4-8-16/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3