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

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-phenylmethoxybenzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-benzyloxybenzenesulfonate CAS Name: 4-phenylmethoxybenzenesulfonic 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-phenylmethoxybenzenesulfonate Traditional Name: 4-benzoxybenzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C27H29N5O6S MolecularWeight: 551.61406

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O6S/c33-27(28-12-13-32-14-16-36-17-15-32)31-26-29-24-11-8-22(18-25(24)30-26)38-39(34,35)23-9-6-21(7-10-23)37-19-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2,(H3,28,29,30,31,33)