[(2R)-3-oxidanylidenebutan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [(2R)-3-oxidanylidenebutan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-propyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [(2R)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-3-oxobutan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [(1R)-2-keto-1-methyl-propyl] ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

C[C@H](C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C18H25NO6S/c1-13(20)14(2)25-18(21)16-12-15(8-9-17(16)24-3)26(22,23)19-10-6-4-5-7-11-19/h8-9,12,14H,4-7,10-11H2,1-3H3/t14-/m1/s1