2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H24N4O3S2/c1-15-11-16(2)13-18(12-15)25-10-9-24-21(25)29-14-20(26)23-8-7-17-3-5-19(6-4-17)30(22,27)28/h3-6,9-13H,7-8,14H2,1-2H3,(H,23,26)(H2,22,27,28)