[2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate CAS Name: 4-[2-(1-pyrrolidinyl)ethylamino]benzenesulfonic acid [2-[[oxo-(2-pyridinylmethylamino)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate Traditional Name: 4-(2-pyrrolidinoethylamino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C26H29N7O4S MolecularWeight: 535.61796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)CCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C26H29N7O4S/c34-26(29-18-20-5-1-2-12-27-20)32-25-30-23-11-8-21(17-24(23)31-25)37-38(35,36)22-9-6-19(7-10-22)28-13-16-33-14-3-4-15-33/h1-2,5-12,17,28H,3-4,13-16,18H2,(H3,29,30,31,32,34)