[2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(4-methyl-1-piperazinyl)benzenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(4-methylpiperazino)benzenesulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCOC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCOC

InChI

InChI=1S/C22H28N6O5S/c1-27-10-12-28(13-11-27)16-3-6-18(7-4-16)34(30,31)33-17-5-8-19-20(15-17)25-21(24-19)26-22(29)23-9-14-32-2/h3-8,15H,9-14H2,1-2H3,(H3,23,24,25,26,29)