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

Systemtic Name: N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]adamantane-2-carboxamide Openeye Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]adamantane-2-carboxamide CAS Name: N-[3-chloro-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-2-adamantanecarboxamide IUPAC Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]adamantane-2-carboxamide Traditional Name: N-[3-chloro-4-[(3-mesylbenzoyl)amino]phenyl]adamantane-2-carboxamide Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3C4CC5CC(C4)CC3C5)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3C4CC5CC(C4)CC3C5)Cl

InChI

InChI=1S/C25H27ClN2O4S/c1-33(31,32)20-4-2-3-16(12-20)24(29)28-22-6-5-19(13-21(22)26)27-25(30)23-17-8-14-7-15(10-17)11-18(23)9-14/h2-6,12-15,17-18,23H,7-11H2,1H3,(H,27,30)(H,28,29)