3-[[1-(4-fluorophenyl)-6-methyl-indazol-4-yl]amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[[1-(4-fluorophenyl)-6-methyl-indazol-4-yl]amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[[1-(4-fluorophenyl)-6-methyl-indazol-4-yl]amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[1-(4-fluorophenyl)-6-methyl-4-indazolyl]amino]propyl ester IUPAC Name: 3-[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[[1-(4-fluorophenyl)-6-methyl-indazol-4-yl]amino]propyl ester Formula: C24H24FN3O3S MolecularWeight: 453.529063

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O3S/c1-17-4-10-21(11-5-17)32(29,30)31-13-3-12-26-23-14-18(2)15-24-22(23)16-27-28(24)20-8-6-19(25)7-9-20/h4-11,14-16,26H,3,12-13H2,1-2H3