2,2-dimethylpropyl 2-oxidanylidene-4-(phenylmethoxycarbonylamino)cyclopentane-1-sulfonate

Systemtic Name: 2,2-dimethylpropyl 2-oxidanylidene-4-(phenylmethoxycarbonylamino)cyclopentane-1-sulfonate Openeye Name: 2,2-dimethylpropyl 4-(benzyloxycarbonylamino)-2-oxo-cyclopentanesulfonate CAS Name: 2-oxo-4-(phenylmethoxycarbonylamino)-1-cyclopentanesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-oxo-4-(phenylmethoxycarbonylamino)cyclopentane-1-sulfonate Traditional Name: 4-(benzyloxycarbonylamino)-2-keto-cyclopentanesulfonic acid neopentyl ester Formula: C18H25NO6S MolecularWeight: 383.4592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COS(=O)(=O)C1CC(CC1=O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)COS(=O)(=O)C1CC(CC1=O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25NO6S/c1-18(2,3)12-25-26(22,23)16-10-14(9-15(16)20)19-17(21)24-11-13-7-5-4-6-8-13/h4-8,14,16H,9-12H2,1-3H3,(H,19,21)