4-chloranyl-3-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]sulfamoyl]benzoic acid Formula: C18H15ClN2O6S MolecularWeight: 422.8395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C18H15ClN2O6S/c19-13-6-5-10(17(22)23)8-16(13)28(26,27)21-15(18(24)25)7-11-9-20-14-4-2-1-3-12(11)14/h1-6,8-9,15,20-21H,7H2,(H,22,23)(H,24,25)