4-chloranyl-3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]sulfamoyl]benzoic acid Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C20H22ClNO7S/c1-12(2)29-19(23)11-17(13-4-7-15(28-3)8-5-13)22-30(26,27)18-10-14(20(24)25)6-9-16(18)21/h4-10,12,17,22H,11H2,1-3H3,(H,24,25)