[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H21ClN2O5S/c17-14-7-6-12(25(18,22)23)10-13(14)16(21)24-11-15(20)19-8-4-2-1-3-5-9-19/h6-7,10H,1-5,8-9,11H2,(H2,18,22,23)