4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-butanamide Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]-4-oxo-butanamide CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(4-fluorophenyl)methyl]-4-oxobutanamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]-4-oxobutanamide Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-N-(4-fluorobenzyl)-4-keto-butyramide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O4S/c1-17-3-4-18(2)21(15-17)32(30,31)27-13-11-26(12-14-27)23(29)10-9-22(28)25-16-19-5-7-20(24)8-6-19/h3-8,15H,9-14,16H2,1-2H3,(H,25,28)