N-[3-methyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]adamantane-2-carboxamide

Systemtic Name: N-[3-methyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]adamantane-2-carboxamide Openeye Name: N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]adamantane-2-carboxamide CAS Name: N-[3-methyl-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-2-adamantanecarboxamide IUPAC Name: N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]adamantane-2-carboxamide Traditional Name: N-[4-[(3-mesylbenzoyl)amino]-3-methyl-phenyl]adamantane-2-carboxamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2C3CC4CC(C3)CC2C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2C3CC4CC(C3)CC2C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C26H30N2O4S/c1-15-8-21(27-26(30)24-19-10-16-9-17(12-19)13-20(24)11-16)6-7-23(15)28-25(29)18-4-3-5-22(14-18)33(2,31)32/h3-8,14,16-17,19-20,24H,9-13H2,1-2H3,(H,27,30)(H,28,29)