3-(azepan-1-ylsulfonylamino)-4-chloranyl-benzoate

Systemtic Name: 3-(azepan-1-ylsulfonylamino)-4-chloranyl-benzoate Openeye Name: 3-(azepan-1-ylsulfonylamino)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonylamino)-4-chlorobenzoate IUPAC Name: 3-(azepan-1-ylsulfonylamino)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonylamino)-4-chloro-benzoate Formula: C13H16ClN2O4S- MolecularWeight: 331.79514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4S/c14-11-6-5-10(13(17)18)9-12(11)15-21(19,20)16-7-3-1-2-4-8-16/h5-6,9,15H,1-4,7-8H2,(H,17,18)/p-1