[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H32N2O6S/c1-31-20-5-4-19(11-21(20)33(29,30)26-6-2-3-7-26)23(28)32-15-22(27)25-24-12-16-8-17(13-24)10-18(9-16)14-24/h4-5,11,16-18H,2-3,6-10,12-15H2,1H3,(H,25,27)