N-[3-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-chloro-5-methylsulfonyl-anilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(2-chloro-5-methylsulfonylanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-chloro-5-methylsulfonylanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-(2-chloro-5-mesyl-anilino)-3-keto-propyl]adamantane-1-carboxamide Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27ClN2O4S/c1-29(27,28)16-2-3-17(22)18(9-16)24-19(25)4-5-23-20(26)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-3,9,13-15H,4-8,10-12H2,1H3,(H,23,26)(H,24,25)