[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C16H23ClN2O5S MolecularWeight: 390.88222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O5S/c1-10(2)4-5-11(3)19-15(20)9-24-16(21)12-6-7-13(17)14(8-12)25(18,22)23/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,20)(H2,18,22,23)/t11-/m0/s1