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

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-diethylaminoethylamino)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-diethylaminoethylamino)benzenesulfonate CAS Name: 4-(2-diethylaminoethylamino)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-diethylaminoethylamino)benzenesulfonate Traditional Name: 4-(2-diethylaminoethylamino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C26H31N7O4S MolecularWeight: 537.63384

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCN(CC)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C26H31N7O4S/c1-3-33(4-2)16-15-28-19-8-11-22(12-9-19)38(35,36)37-21-10-13-23-24(17-21)31-25(30-23)32-26(34)29-18-20-7-5-6-14-27-20/h5-14,17,28H,3-4,15-16,18H2,1-2H3,(H3,29,30,31,32,34)