[(3S)-4-benzamido-2-[(1R)-3,3-dimethylcyclopentyl]-5-ethoxy-oxolan-3-yl] methanesulfonate

Systemtic Name: [(3S)-4-benzamido-2-[(1R)-3,3-dimethylcyclopentyl]-5-ethoxy-oxolan-3-yl] methanesulfonate Openeye Name: [(3S)-4-benzamido-2-[(1R)-3,3-dimethylcyclopentyl]-5-ethoxy-tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(3S)-4-benzamido-2-[(1R)-3,3-dimethylcyclopentyl]-5-ethoxy-3-oxolanyl] ester IUPAC Name: [(3S)-4-benzamido-2-[(1R)-3,3-dimethylcyclopentyl]-5-ethoxyoxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(3S)-4-benzamido-2-[(1R)-3,3-dimethylcyclopentyl]-5-ethoxy-tetrahydrofuran-3-yl] ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(C(O1)C2CCC(C2)(C)C)OS(=O)(=O)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1C([C@@H](C(O1)[C@@H]2CCC(C2)(C)C)OS(=O)(=O)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31NO6S/c1-5-26-20-16(22-19(23)14-9-7-6-8-10-14)18(28-29(4,24)25)17(27-20)15-11-12-21(2,3)13-15/h6-10,15-18,20H,5,11-13H2,1-4H3,(H,22,23)/t15-,16?,17?,18+,20?/m1/s1