2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)acetamide Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C21H24N6O3S2/c22-32(29,30)18-10-6-7-16(13-18)23-20(28)15-31-21-25-24-19(14-26-11-4-5-12-26)27(21)17-8-2-1-3-9-17/h1-3,6-10,13H,4-5,11-12,14-15H2,(H,23,28)(H2,22,29,30)