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

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide Openeye Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(3-fluorophenyl)propanamide IUPAC Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-(3-fluorophenyl)propionamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H26FN3O3S/c1-16-6-7-20(17(2)14-16)29(27,28)25-12-10-24(11-13-25)9-8-21(26)23-19-5-3-4-18(22)15-19/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)