2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(2-fluorophenyl)methyl]propanamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-N-(2-fluorobenzyl)propionamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC3=CC=CC=C3F)C

InChI

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