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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-15-7-8-20(16(2)13-15)23-21(26)17(3)24-9-11-25(12-10-24)29(27,28)19-6-4-5-18(22)14-19/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,26)