[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2S)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O5S/c1-17(32-24(29)25-14-18-11-19(15-25)13-20(12-18)16-25)23(28)26-21-5-7-22(8-6-21)33(30,31)27-9-3-2-4-10-27/h5-8,17-20H,2-4,9-16H2,1H3,(H,26,28)/t17-,18?,19?,20?,25?/m0/s1