1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C18H20N4O6S3 MolecularWeight: 484.5696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C18H20N4O6S3/c1-10-16(11(2)28-21-10)31(26,27)22-8-4-5-14(22)17(23)20-18-19-13-7-6-12(30(3,24)25)9-15(13)29-18/h6-7,9,14H,4-5,8H2,1-3H3,(H,19,20,23)