[2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-oxidanylpiperidin-1-yl)benzenesulfonate

Systemtic Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-oxidanylpiperidin-1-yl)benzenesulfonate Openeye Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxy-1-piperidyl)benzenesulfonate CAS Name: 4-(4-hydroxy-1-piperidinyl)benzenesulfonic acid [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxypiperidin-1-yl)benzenesulfonate Traditional Name: 4-(4-hydroxypiperidino)benzenesulfonic acid [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4CCC(CC4)O

Isomeric SMILES

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4CCC(CC4)O

InChI

InChI=1S/C21H25N5O5S/c1-2-22-21(28)25-20-23-18-8-5-16(13-19(18)24-20)31-32(29,30)17-6-3-14(4-7-17)26-11-9-15(27)10-12-26/h3-8,13,15,27H,2,9-12H2,1H3,(H3,22,23,24,25,28)