[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(methylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC

InChI

InChI=1S/C17H23ClN2O5S/c1-12(16(21)20-9-5-3-4-6-10-20)25-17(22)13-7-8-14(18)15(11-13)26(23,24)19-2/h7-8,11-12,19H,3-6,9-10H2,1-2H3/t12-/m1/s1