N-[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]-3-fluoranyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]-3-fluoranyl-4-methyl-benzenesulfonamide Openeye Name: N-[3-(4-acetylpiperazine-1-carbonyl)phenyl]-3-fluoro-4-methyl-benzenesulfonamide CAS Name: N-[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide IUPAC Name: N-[3-(4-acetylpiperazine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-acetylpiperazine-1-carbonyl)phenyl]-3-fluoro-4-methyl-benzenesulfonamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)F

InChI

InChI=1S/C20H22FN3O4S/c1-14-6-7-18(13-19(14)21)29(27,28)22-17-5-3-4-16(12-17)20(26)24-10-8-23(9-11-24)15(2)25/h3-7,12-13,22H,8-11H2,1-2H3