[2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(piperidin-4-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(piperidin-4-ylmethylamino)benzenesulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-piperidylmethylamino)benzenesulfonate CAS Name: 4-(4-piperidinylmethylamino)benzenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(piperidin-4-ylmethylamino)benzenesulfonate Traditional Name: 4-(4-piperidylmethylamino)benzenesulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C23H30N6O5S MolecularWeight: 502.5865

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4CCNCC4

Isomeric SMILES

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4CCNCC4

InChI

InChI=1S/C23H30N6O5S/c1-33-13-12-25-23(30)29-22-27-20-7-4-18(14-21(20)28-22)34-35(31,32)19-5-2-17(3-6-19)26-15-16-8-10-24-11-9-16/h2-7,14,16,24,26H,8-13,15H2,1H3,(H3,25,27,28,29,30)