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

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-piperidin-1-ylethylamino)benzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[2-(1-piperidyl)ethylamino]benzenesulfonate CAS Name: 4-[2-(1-piperidinyl)ethylamino]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-(2-piperidin-1-ylethylamino)benzenesulfonate Traditional Name: 4-(2-piperidinoethylamino)benzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C27H37N7O5S MolecularWeight: 571.69158

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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)NCCN5CCOCC5

Isomeric SMILES

C1CCN(CC1)CCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCOCC5

InChI

InChI=1S/C27H37N7O5S/c35-27(29-11-15-34-16-18-38-19-17-34)32-26-30-24-9-6-22(20-25(24)31-26)39-40(36,37)23-7-4-21(5-8-23)28-10-14-33-12-2-1-3-13-33/h4-9,20,28H,1-3,10-19H2,(H3,29,30,31,32,35)