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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O4S2/c22-18-9-8-15(12-19(18)31(27,28)25-10-4-5-11-25)20(26)29-13-17-14-30-21(24-17)23-16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,23,24)