(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O4S2/c22-19-9-8-17(30(26,27)24-10-4-5-11-24)12-18(19)21(25)28-13-16-14-29-20(23-16)15-6-2-1-3-7-15/h1-3,6-9,12,14H,4-5,10-11,13H2