[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate

Systemtic Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: [2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C18H27ClN2O5S MolecularWeight: 418.93538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O5S/c1-12(2)6-5-7-13(3)21-17(22)11-26-18(23)14-8-9-15(19)16(10-14)27(24,25)20-4/h8-10,12-13,20H,5-7,11H2,1-4H3,(H,21,22)/t13-/m0/s1