(2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S2/c25-20(16-7-6-10-19(13-16)30(26,27)24-11-4-5-12-24)28-14-18-15-29-21(23-18)22-17-8-2-1-3-9-17/h1-3,6-10,13,15H,4-5,11-12,14H2,(H,22,23)