[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C18H25NO5S/c1-14(17(20)19-11-5-3-4-6-12-19)24-18(21)16-9-7-15(8-10-16)13-25(2,22)23/h7-10,14H,3-6,11-13H2,1-2H3/t14-/m1/s1