[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonate CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazinyl]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonate Traditional Name: 4-[4-(2-hydroxyethyl)piperazino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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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)N5CCN(CC5)CCO

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCN(CC5)CCO

InChI

InChI=1S/C23H27N5O5S/c29-14-13-27-9-11-28(12-10-27)17-3-6-19(7-4-17)34(31,32)33-18-5-8-20-21(15-18)25-23(24-20)26-22(30)16-1-2-16/h3-8,15-16,29H,1-2,9-14H2,(H2,24,25,26,30)