[2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(4-methoxy-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[4-methoxy-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(4-methoxy-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C26H35N3O8S MolecularWeight: 549.6364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=C(C=C4)OC)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=C(C=C4)OC)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H35N3O8S/c1-17(30)28-26-13-18-9-19(14-26)12-25(11-18,16-26)24(32)37-15-23(31)27-20-3-4-21(35-2)22(10-20)38(33,34)29-5-7-36-8-6-29/h3-4,10,18-19H,5-9,11-16H2,1-2H3,(H,27,31)(H,28,30)