(4-acetamidophenyl) azepane-1-sulfonate

Systemtic Name: (4-acetamidophenyl) azepane-1-sulfonate Openeye Name: (4-acetamidophenyl) azepane-1-sulfonate CAS Name: 1-azepanesulfonic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) azepane-1-sulfonate Traditional Name: azepane-1-sulfonic acid (4-acetamidophenyl) ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H20N2O4S/c1-12(17)15-13-6-8-14(9-7-13)20-21(18,19)16-10-4-2-3-5-11-16/h6-9H,2-5,10-11H2,1H3,(H,15,17)