N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Openeye Name: N-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Traditional Name: N-[2-(tosylamino)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H27N3O3S2/c1-15-2-5-20(6-3-15)33(30,31)28-24-27-21-7-4-19(11-22(21)32-24)26-23(29)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,26,29)(H,27,28)