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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-N-(4-fluorobenzyl)propionamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O3S/c1-16-4-5-17(2)21(14-16)30(28,29)26-12-10-25(11-13-26)18(3)22(27)24-15-19-6-8-20(23)9-7-19/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,27)