[2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyridylmethylamino)benzenesulfonate CAS Name: 4-(2-pyridinylmethylamino)benzenesulfonic acid [2-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(2-pyridylmethylamino)benzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C26H29N7O5S MolecularWeight: 551.61736

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5=CC=CC=N5

Isomeric SMILES

C1COCCN1CCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5=CC=CC=N5

InChI

InChI=1S/C26H29N7O5S/c34-26(28-11-12-33-13-15-37-16-14-33)32-25-30-23-9-6-21(17-24(23)31-25)38-39(35,36)22-7-4-19(5-8-22)29-18-20-3-1-2-10-27-20/h1-10,17,29H,11-16,18H2,(H3,28,30,31,32,34)