3-[4-[(3-oxidanylidene-1-phenyl-3-propan-2-yloxy-propyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-oxidanylidene-1-phenyl-3-propan-2-yloxy-propyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-isopropoxy-3-oxo-1-phenyl-propyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-isopropoxy-3-keto-1-phenyl-propyl)sulfamoyl]phenyl]propionic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-15(2)28-21(25)14-19(17-6-4-3-5-7-17)22-29(26,27)18-11-8-16(9-12-18)10-13-20(23)24/h3-9,11-12,15,19,22H,10,13-14H2,1-2H3,(H,23,24)