[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C17H25ClN2O5S MolecularWeight: 404.9088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC

InChI

InChI=1S/C17H25ClN2O5S/c1-4-5-6-7-12(2)20-16(21)11-25-17(22)13-8-9-14(18)15(10-13)26(23,24)19-3/h8-10,12,19H,4-7,11H2,1-3H3,(H,20,21)/t12-/m0/s1