[7-chloranyl-2-(tridecanoylamino)-1H-pyrazolo[1,5-a]benzimidazol-3-yl] benzenesulfonate

Systemtic Name: [7-chloranyl-2-(tridecanoylamino)-1H-pyrazolo[1,5-a]benzimidazol-3-yl] benzenesulfonate Openeye Name: [7-chloro-2-(tridecanoylamino)-1H-pyrazolo[1,5-a]benzimidazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [7-chloro-2-(1-oxotridecylamino)-1H-pyrazolo[1,5-a]benzimidazol-3-yl] ester IUPAC Name: [7-chloro-2-(tridecanoylamino)-1H-pyrazolo[1,5-a]benzimidazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [7-chloro-2-(tridecanoylamino)-1H-pyrazolo[1,5-a]benzimidazol-3-yl] ester Formula: C28H35ClN4O4S MolecularWeight: 559.1199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC1=C(C2=NC3=C(N2N1)C=C(C=C3)Cl)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC(=O)NC1=C(C2=NC3=C(N2N1)C=C(C=C3)Cl)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H35ClN4O4S/c1-2-3-4-5-6-7-8-9-10-14-17-25(34)31-27-26(37-38(35,36)22-15-12-11-13-16-22)28-30-23-19-18-21(29)20-24(23)33(28)32-27/h11-13,15-16,18-20,32H,2-10,14,17H2,1H3,(H,31,34)