2-(azocan-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(azocan-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 2-(azocan-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 2-(1-azocanyl)-5-sulfamoylbenzoic acid IUPAC Name: 2-(azocan-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 2-(azocan-1-yl)-5-sulfamoyl-benzoic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c15-21(19,20)11-6-7-13(12(10-11)14(17)18)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9H2,(H,17,18)(H2,15,19,20)