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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CN1C(C(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4S2/c1-23-17(24)11-14(18(23)12-6-4-3-5-7-12)19(25)22-20-21-15-9-8-13(29(2,26)27)10-16(15)28-20/h3-10,14,18H,11H2,1-2H3,(H,21,22,25)