3-[[1-(4-fluorophenyl)indazol-4-yl]amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[[1-(4-fluorophenyl)indazol-4-yl]amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[[1-(4-fluorophenyl)indazol-4-yl]amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[1-(4-fluorophenyl)-4-indazolyl]amino]propyl ester IUPAC Name: 3-[[1-(4-fluorophenyl)indazol-4-yl]amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[[1-(4-fluorophenyl)indazol-4-yl]amino]propyl ester Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=CC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=CC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O3S/c1-17-6-12-20(13-7-17)31(28,29)30-15-3-14-25-22-4-2-5-23-21(22)16-26-27(23)19-10-8-18(24)9-11-19/h2,4-13,16,25H,3,14-15H2,1H3