2-(acetyloxymethyl)-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid

Systemtic Name: 2-(acetyloxymethyl)-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid Openeye Name: 2-(acetoxymethyl)-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid CAS Name: 2-(acetyloxymethyl)-1-(4-methoxyphenyl)sulfonyl-2-azepanecarboxylic acid IUPAC Name: 2-(acetyloxymethyl)-1-(4-methoxyphenyl)sulfonylazepane-2-carboxylic acid Traditional Name: 2-(acetoxymethyl)-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(=O)OCC1(CCCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C17H23NO7S/c1-13(19)25-12-17(16(20)21)10-4-3-5-11-18(17)26(22,23)15-8-6-14(24-2)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,20,21)