N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(4-fluoroanilino)-2-oxo-ethyl]-4-methyl-N-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(4-fluoroanilino)-2-keto-ethyl]-4-methyl-N-tosyl-piperazine-1-carboxamide Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O4S/c1-16-3-9-19(10-4-16)31(29,30)26(21(28)25-13-11-24(2)12-14-25)15-20(27)23-18-7-5-17(22)6-8-18/h3-10H,11-15H2,1-2H3,(H,23,27)