3-oxidanylidenebutan-2-yl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (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=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

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