(2R)-1-(1-adamantylcarbonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1-adamantylcarbonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(adamantane-1-carbonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(adamantane-1-carbonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(adamantane-1-carbonyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H29N3O4S2/c1-33(30,31)17-4-5-18-20(10-17)32-23(25-18)26-21(28)19-3-2-6-27(19)22(29)24-11-14-7-15(12-24)9-16(8-14)13-24/h4-5,10,14-16,19H,2-3,6-9,11-13H2,1H3,(H,25,26,28)/t14?,15?,16?,19-,24?/m1/s1