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

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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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)NC4CCCC4

Isomeric SMILES

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

InChI

InChI=1S/C22H27N5O5S/c1-31-13-12-23-22(28)27-21-25-19-11-8-17(14-20(19)26-21)32-33(29,30)18-9-6-16(7-10-18)24-15-4-2-3-5-15/h6-11,14-15,24H,2-5,12-13H2,1H3,(H3,23,25,26,27,28)