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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-benzyl-5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4S2/c1-29(26,27)15-7-8-16-17(10-15)28-20(21-16)22-19(25)14-9-18(24)23(12-14)11-13-5-3-2-4-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,22,25)