3-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-(1-imidazolylmethyl)phenyl]methylsulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[4-(imidazol-1-ylmethyl)phenyl]methylsulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[4-(imidazol-1-ylmethyl)benzyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CN=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CN=C3)C

InChI

InChI=1S/C20H21N3O4S/c1-14-9-18(20(24)25)10-19(15(14)2)28(26,27)22-11-16-3-5-17(6-4-16)12-23-8-7-21-13-23/h3-10,13,22H,11-12H2,1-2H3,(H,24,25)