[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCC5

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H33NO6S/c1-16(23(27)25-13-17-9-18(14-25)11-19(10-17)15-25)32-24(28)20-5-6-21(31-2)22(12-20)33(29,30)26-7-3-4-8-26/h5-6,12,16-19H,3-4,7-11,13-15H2,1-2H3/t16-,17?,18?,19?,25?/m1/s1