[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(2-azanylethylamino)ethylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(2-azanylethylamino)ethylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(2-aminoethylamino)ethylamino]benzenesulfonate CAS Name: 4-[2-(2-aminoethylamino)ethylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(2-aminoethylamino)ethylamino]benzenesulfonate Traditional Name: 4-[2-(2-aminoethylamino)ethylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H26N6O4S MolecularWeight: 458.53394

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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)NCCNCCN

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCNCCN

InChI

InChI=1S/C21H26N6O4S/c22-9-10-23-11-12-24-15-3-6-17(7-4-15)32(29,30)31-16-5-8-18-19(13-16)26-21(25-18)27-20(28)14-1-2-14/h3-8,13-14,23-24H,1-2,9-12,22H2,(H2,25,26,27,28)