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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H19ClN2O5S MolecularWeight: 374.83976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C15H19ClN2O5S/c16-13-6-5-11(24(17,21)22)9-12(13)15(20)23-10-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H2,17,21,22)