tert-butyl 3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate Openeye Name: tert-butyl 4-(benzyloxycarbonylamino)-3-(methylsulfonyloxymethyl)cyclohexanecarboxylate CAS Name: 3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylamino)-3-(methylsulfonyloxymethyl)cyclohexanecarboxylic acid tert-butyl ester Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(C(C1)COS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC(C(C1)COS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31NO7S/c1-21(2,3)29-19(23)16-10-11-18(17(12-16)14-28-30(4,25)26)22-20(24)27-13-15-8-6-5-7-9-15/h5-9,16-18H,10-14H2,1-4H3,(H,22,24)