[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(2-piperazin-1-ylethylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(2-piperazin-1-ylethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-piperazin-1-ylethylamino)benzenesulfonate CAS Name: 4-[2-(1-piperazinyl)ethylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-piperazin-1-ylethylamino)benzenesulfonate Traditional Name: 4-(2-piperazinoethylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C23H28N6O4S MolecularWeight: 484.57122

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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)NCCN5CCNCC5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCN5CCNCC5

InChI

InChI=1S/C23H28N6O4S/c30-22(16-1-2-16)28-23-26-20-8-5-18(15-21(20)27-23)33-34(31,32)19-6-3-17(4-7-19)25-11-14-29-12-9-24-10-13-29/h3-8,15-16,24-25H,1-2,9-14H2,(H2,26,27,28,30)