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

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-piperidin-1-ylethylamino)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[2-(1-piperidyl)ethylamino]benzenesulfonate CAS Name: 4-[2-(1-piperidinyl)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-piperidin-1-ylethylamino)benzenesulfonate Traditional Name: 4-(2-piperidinoethylamino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C27H31N7O4S MolecularWeight: 549.64454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C27H31N7O4S/c35-27(30-19-21-6-2-3-13-28-21)33-26-31-24-12-9-22(18-25(24)32-26)38-39(36,37)23-10-7-20(8-11-23)29-14-17-34-15-4-1-5-16-34/h2-3,6-13,18,29H,1,4-5,14-17,19H2,(H3,30,31,32,33,35)