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

Systemtic Name: 1-(3-methylbutyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-isopentyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3-methylbutyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-methylbutyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-isoamyl-5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCN1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O4S2/c1-11(2)6-7-21-10-12(8-16(21)22)17(23)20-18-19-14-5-4-13(27(3,24)25)9-15(14)26-18/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,19,20,23)