[2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCCOC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCCOC)C

InChI

InChI=1S/C20H24N4O5S/c1-12-9-13(2)18(14(3)10-12)30(26,27)29-15-5-6-16-17(11-15)23-19(22-16)24-20(25)21-7-8-28-4/h5-6,9-11H,7-8H2,1-4H3,(H3,21,22,23,24,25)