2-[[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[[2-(1-adamantylamino)-2-oxo-ethyl]-methyl-amino]-N-(4-chloro-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]-methyl-amino]-N-(4-chloro-3-morpholinosulfonyl-phenyl)acetamide Formula: C25H35ClN4O5S MolecularWeight: 539.0872

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35ClN4O5S/c1-29(16-24(32)28-25-12-17-8-18(13-25)10-19(9-17)14-25)15-23(31)27-20-2-3-21(26)22(11-20)36(33,34)30-4-6-35-7-5-30/h2-3,11,17-19H,4-10,12-16H2,1H3,(H,27,31)(H,28,32)