3-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-(1-imidazolylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(imidazol-1-ylmethyl)benzyl]sulfamoyl]phenyl]propionic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CN=C3

InChI

InChI=1S/C20H21N3O4S/c24-20(25)10-7-16-5-8-19(9-6-16)28(26,27)22-13-17-1-3-18(4-2-17)14-23-12-11-21-15-23/h1-6,8-9,11-12,15,22H,7,10,13-14H2,(H,24,25)