2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxy-5-morpholinosulfonyl-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)benzamide Formula: C30H37N3O6S2 MolecularWeight: 599.76128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H37N3O6S2/c1-38-26-7-6-23(41(36,37)33-8-10-39-11-9-33)15-25(26)31-29(35)24-4-2-3-5-27(24)40-19-28(34)32-30-16-20-12-21(17-30)14-22(13-20)18-30/h2-7,15,20-22H,8-14,16-19H2,1H3,(H,31,35)(H,32,34)