N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-adamantane-1-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-adamantane-1-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-adamantane-1-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-1-adamantanecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyladamantane-1-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-adamantane-1-carboxamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C25H26N2O3S2/c1-32(29,30)19-7-8-20-21(10-19)31-23(26-20)27-22(28)25-13-16-9-17(14-25)12-24(11-16,15-25)18-5-3-2-4-6-18/h2-8,10,16-17H,9,11-15H2,1H3,(H,26,27,28)