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

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-dimethylaminoethylamino)benzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-dimethylaminoethylamino)benzenesulfonate CAS Name: 4-(2-dimethylaminoethylamino)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-dimethylaminoethylamino)benzenesulfonate Traditional Name: 4-(2-dimethylaminoethylamino)benzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C24H33N7O5S MolecularWeight: 531.62772

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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)NCCN4CCOCC4

Isomeric SMILES

CN(C)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCCN4CCOCC4

InChI

InChI=1S/C24H33N7O5S/c1-30(2)11-9-25-18-3-6-20(7-4-18)37(33,34)36-19-5-8-21-22(17-19)28-23(27-21)29-24(32)26-10-12-31-13-15-35-16-14-31/h3-8,17,25H,9-16H2,1-2H3,(H3,26,27,28,29,32)