[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N2O6S/c26-20-4-3-18(32(29,30)25-5-1-2-6-25)10-19(20)22(28)31-14-21(27)24-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-4,10,15-17,26H,1-2,5-9,11-14H2,(H,24,27)