[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(2-hydroxyethylamino)propylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(2-hydroxyethylamino)propylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(2-hydroxyethylamino)propylamino]benzenesulfonate CAS Name: 4-[3-(2-hydroxyethylamino)propylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(2-hydroxyethylamino)propylamino]benzenesulfonate Traditional Name: 4-[3-(2-hydroxyethylamino)propylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCCNCCO

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCCNCCO

InChI

InChI=1S/C22H27N5O5S/c28-13-12-23-10-1-11-24-16-4-7-18(8-5-16)33(30,31)32-17-6-9-19-20(14-17)26-22(25-19)27-21(29)15-2-3-15/h4-9,14-15,23-24,28H,1-3,10-13H2,(H2,25,26,27,29)