N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(4-propylphenyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(4-propylphenyl)pyrrolidine-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-1-(4-propylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(4-propylphenyl)pyrrolidine-3-carboxamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H23N3O4S2/c1-3-4-14-5-7-16(8-6-14)25-13-15(11-20(25)26)21(27)24-22-23-18-10-9-17(31(2,28)29)12-19(18)30-22/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,23,24,27)