[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27NO5S/c23-19(22-21-11-15-8-16(12-21)10-17(9-15)13-21)14-27-20(24)6-7-28(25,26)18-4-2-1-3-5-18/h1-5,15-17H,6-14H2,(H,22,23)