ethyl 4-[[(5S)-5-azanyl-6-ethoxy-6-oxidanylidene-hexyl]amino]-2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-[[(5S)-5-azanyl-6-ethoxy-6-oxidanylidene-hexyl]amino]-2-chloranyl-5-sulfamoyl-benzoate Openeye Name: ethyl 4-[[(5S)-5-amino-6-ethoxy-6-oxo-hexyl]amino]-2-chloro-5-sulfamoyl-benzoate CAS Name: 4-[[(5S)-5-amino-6-ethoxy-6-oxohexyl]amino]-2-chloro-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5S)-5-amino-6-ethoxy-6-oxohexyl]amino]-2-chloro-5-sulfamoylbenzoate Traditional Name: 4-[[(5S)-5-amino-6-ethoxy-6-keto-hexyl]amino]-2-chloro-5-sulfamoyl-benzoic acid ethyl ester Formula: C17H26ClN3O6S MolecularWeight: 435.92284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1Cl)NCCCCC(C(=O)OCC)N)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1Cl)NCCCC[C@@H](C(=O)OCC)N)S(=O)(=O)N

InChI

InChI=1S/C17H26ClN3O6S/c1-3-26-16(22)11-9-15(28(20,24)25)14(10-12(11)18)21-8-6-5-7-13(19)17(23)27-4-2/h9-10,13,21H,3-8,19H2,1-2H3,(H2,20,24,25)/t13-/m0/s1