methyl (1S,2R,4S)-1-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylsulfonyloxy-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,4S)-1-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylsulfonyloxy-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,4S)-1-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylsulfonyloxy-cyclohexanecarboxylate CAS Name: (1S,2R,4S)-1-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylsulfonyloxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,4S)-1-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylsulfonyloxycyclohexane-1-carboxylate Traditional Name: (1S,2R,4S)-1-benzamido-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylsulfonyloxy-cyclohexanecarboxylic acid methyl ester Formula: C21H29NO8S MolecularWeight: 455.52186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C2CC(CCC2(C(=O)OC)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C)C

Isomeric SMILES

CC1(OC[C@@H](O1)[C@@H]2C[C@H](CC[C@]2(C(=O)OC)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C)C

InChI

InChI=1S/C21H29NO8S/c1-20(2)28-13-17(29-20)16-12-15(30-31(4,25)26)10-11-21(16,19(24)27-3)22-18(23)14-8-6-5-7-9-14/h5-9,15-17H,10-13H2,1-4H3,(H,22,23)/t15-,16-,17+,21-/m0/s1