4-(azepan-1-ylsulfonylamino)benzoate

Systemtic Name: 4-(azepan-1-ylsulfonylamino)benzoate Openeye Name: 4-(azepan-1-ylsulfonylamino)benzoate CAS Name: 4-(1-azepanylsulfonylamino)benzoate IUPAC Name: 4-(azepan-1-ylsulfonylamino)benzoate Traditional Name: 4-(azepan-1-ylsulfonylamino)benzoate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c16-13(17)11-5-7-12(8-6-11)14-20(18,19)15-9-3-1-2-4-10-15/h5-8,14H,1-4,9-10H2,(H,16,17)/p-1