[2-[2-(2-hydroxyethylamino)ethylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-[2-(2-hydroxyethylamino)ethylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-[2-(2-hydroxyethylamino)ethylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-[[[2-(2-hydroxyethylamino)ethylamino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[2-(2-hydroxyethylamino)ethylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-[2-(2-hydroxyethylamino)ethylcarbamoylamino]-3H-benzimidazol-5-yl] ester Formula: C23H30N6O6S MolecularWeight: 518.5859

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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)NCCNCCO

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O6S/c30-12-11-24-9-10-25-23(31)29-22-27-20-8-5-17(14-21(20)28-22)35-36(32,33)19-6-3-16(4-7-19)26-15-18-2-1-13-34-18/h3-8,14,18,24,26,30H,1-2,9-13,15H2,(H3,25,27,28,29,31)