[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C26H35N3O6S MolecularWeight: 517.6376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H35N3O6S/c1-18(30)28-26-14-19-10-20(15-26)13-25(12-19,17-26)24(32)35-16-23(31)27-21-6-5-7-22(11-21)36(33,34)29-8-3-2-4-9-29/h5-7,11,19-20H,2-4,8-10,12-17H2,1H3,(H,27,31)(H,28,30)