4-fluoranyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropylamino)-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-fluoranyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropylamino)-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-fluoro-N-[2-(isobutylamino)-2-oxo-1-[1-(p-tolylsulfonyl)-4-piperidyl]ethyl]benzamide CAS Name: 4-fluoro-N-[1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide IUPAC Name: 4-fluoro-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide Traditional Name: 4-fluoro-N-[2-(isobutylamino)-2-keto-1-(1-tosyl-4-piperidyl)ethyl]benzamide Formula: C25H32FN3O4S MolecularWeight: 489.602683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(C(=O)NCC(C)C)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(C(=O)NCC(C)C)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H32FN3O4S/c1-17(2)16-27-25(31)23(28-24(30)20-6-8-21(26)9-7-20)19-12-14-29(15-13-19)34(32,33)22-10-4-18(3)5-11-22/h4-11,17,19,23H,12-16H2,1-3H3,(H,27,31)(H,28,30)