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

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-dimethylaminoethylamino)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-dimethylaminoethylamino)benzenesulfonate CAS Name: 4-(2-dimethylaminoethylamino)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-dimethylaminoethylamino)benzenesulfonate Traditional Name: 4-(2-dimethylaminoethylamino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C24H27N7O4S MolecularWeight: 509.58068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)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/C24H27N7O4S/c1-31(2)14-13-26-17-6-9-20(10-7-17)36(33,34)35-19-8-11-21-22(15-19)29-23(28-21)30-24(32)27-16-18-5-3-4-12-25-18/h3-12,15,26H,13-14,16H2,1-2H3,(H3,27,28,29,30,32)