4-[[3-azanyl-5-pyrrol-1-yl-2-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-1H-1,2,4-triazol-5-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[3-azanyl-5-pyrrol-1-yl-2-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-1H-1,2,4-triazol-5-yl]amino]benzenesulfonamide Openeye Name: 4-[[3-amino-5-pyrrol-1-yl-2-(3-pyrrol-1-ylthiophene-2-carbonyl)-1H-1,2,4-triazol-5-yl]amino]benzenesulfonamide CAS Name: 4-[[3-amino-2-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-5-(1-pyrrolyl)-1H-1,2,4-triazol-5-yl]amino]benzenesulfonamide IUPAC Name: 4-[[3-amino-5-pyrrol-1-yl-2-(3-pyrrol-1-ylthiophene-2-carbonyl)-1H-1,2,4-triazol-5-yl]amino]benzenesulfonamide Traditional Name: 4-[[3-amino-5-pyrrol-1-yl-2-(3-pyrrol-1-ylthiophene-2-carbonyl)-1H-1,2,4-triazol-5-yl]amino]benzenesulfonamide Formula: C21H20N8O3S2 MolecularWeight: 496.5653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(SC=C2)C(=O)N3C(=NC(N3)(NC4=CC=C(C=C4)S(=O)(=O)N)N5C=CC=C5)N

Isomeric SMILES

C1=CN(C=C1)C2=C(SC=C2)C(=O)N3C(=NC(N3)(NC4=CC=C(C=C4)S(=O)(=O)N)N5C=CC=C5)N

InChI

InChI=1S/C21H20N8O3S2/c22-20-25-21(28-12-3-4-13-28,24-15-5-7-16(8-6-15)34(23,31)32)26-29(20)19(30)18-17(9-14-33-18)27-10-1-2-11-27/h1-14,24,26H,(H2,22,25)(H2,23,31,32)