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

Systemtic Name: 3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]sulfamoyl]-4-methyl-benzoic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC(CC(=O)OC(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC(CC(=O)OC(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO7S/c1-13(2)29-20(23)12-18(15-7-9-17(28-4)10-8-15)22-30(26,27)19-11-16(21(24)25)6-5-14(19)3/h5-11,13,18,22H,12H2,1-4H3,(H,24,25)