4-(azepan-1-ylsulfonylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(azepan-1-ylsulfonylamino)-2-oxidanyl-benzoic acid Openeye Name: 4-(azepan-1-ylsulfonylamino)-2-hydroxy-benzoic acid CAS Name: 4-(1-azepanylsulfonylamino)-2-hydroxybenzoic acid IUPAC Name: 4-(azepan-1-ylsulfonylamino)-2-hydroxybenzoic acid Traditional Name: 4-(azepan-1-ylsulfonylamino)-2-hydroxy-benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C13H18N2O5S/c16-12-9-10(5-6-11(12)13(17)18)14-21(19,20)15-7-3-1-2-4-8-15/h5-6,9,14,16H,1-4,7-8H2,(H,17,18)