[2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-[[oxo-(2-pyridinylmethylamino)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C25H26N6O5S MolecularWeight: 522.57614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CC(OC1)CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C25H26N6O5S/c32-25(28-15-18-4-1-2-12-26-18)31-24-29-22-11-8-19(14-23(22)30-24)36-37(33,34)21-9-6-17(7-10-21)27-16-20-5-3-13-35-20/h1-2,4,6-12,14,20,27H,3,5,13,15-16H2,(H3,28,29,30,31,32)