2-[4-(azepan-1-ylsulfonylamino)phenyl]ethanoate

Systemtic Name: 2-[4-(azepan-1-ylsulfonylamino)phenyl]ethanoate Openeye Name: 2-[4-(azepan-1-ylsulfonylamino)phenyl]acetate CAS Name: 2-[4-(1-azepanylsulfonylamino)phenyl]acetate IUPAC Name: 2-[4-(azepan-1-ylsulfonylamino)phenyl]acetate Traditional Name: 2-[4-(azepan-1-ylsulfonylamino)phenyl]acetate Formula: C14H19N2O4S- MolecularWeight: 311.37666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c17-14(18)11-12-5-7-13(8-6-12)15-21(19,20)16-9-3-1-2-4-10-16/h5-8,15H,1-4,9-11H2,(H,17,18)/p-1