[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(5-aminocarbonyl-1H-imidazol-4-yl)amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(5-aminocarbonyl-1H-imidazol-4-yl)amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(5-carbamoyl-1H-imidazol-4-yl)amino]benzenesulfonate CAS Name: 4-[(5-carbamoyl-1H-imidazol-4-yl)amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(5-carbamoyl-1H-imidazol-4-yl)amino]benzenesulfonate Traditional Name: 4-[(5-carbamoyl-1H-imidazol-4-yl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H19N7O5S MolecularWeight: 481.48446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5=C(NC=N5)C(=O)N

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5=C(NC=N5)C(=O)N

InChI

InChI=1S/C21H19N7O5S/c22-18(29)17-19(24-10-23-17)25-12-3-6-14(7-4-12)34(31,32)33-13-5-8-15-16(9-13)27-21(26-15)28-20(30)11-1-2-11/h3-11,25H,1-2H2,(H2,22,29)(H,23,24)(H2,26,27,28,30)