2-[5-fluoranyl-2-methyl-3-(1H-pyridin-4-ylidene)inden-1-yl]-N-(phenylmethyl)ethanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-(1H-pyridin-4-ylidene)inden-1-yl]-N-(phenylmethyl)ethanamide; 4-methylbenzenesulfonic acid Openeye Name: N-benzyl-2-[5-fluoro-2-methyl-3-(1H-pyridin-4-ylidene)inden-1-yl]acetamide; 4-methylbenzenesulfonic acid CAS Name: 2-[5-fluoro-2-methyl-3-(1H-pyridin-4-ylidene)-1-indenyl]-N-(phenylmethyl)acetamide; 4-methylbenzenesulfonic acid IUPAC Name: N-benzyl-2-[5-fluoro-2-methyl-3-(1H-pyridin-4-ylidene)inden-1-yl]acetamide; 4-methylbenzenesulfonic acid Traditional Name: N-benzyl-2-[5-fluoro-2-methyl-3-(1H-pyridin-4-ylidene)inden-1-yl]acetamide; tosylic acid Formula: C31H29FN2O4S MolecularWeight: 544.636363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C2=C(C1=C3C=CNC=C3)C=C(C=C2)F)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C2=C(C1=C3C=CNC=C3)C=C(C=C2)F)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H21FN2O.C7H8O3S/c1-16-21(14-23(28)27-15-17-5-3-2-4-6-17)20-8-7-19(25)13-22(20)24(16)18-9-11-26-12-10-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-13,26H,14-15H2,1H3,(H,27,28);2-5H,1H3,(H,8,9,10)