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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-(3-fluorobenzyl)-N-methyl-propionamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N(C)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N(C)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C23H30FN3O3S/c1-17-8-9-22(18(2)14-17)31(29,30)27-12-10-26(11-13-27)19(3)23(28)25(4)16-20-6-5-7-21(24)15-20/h5-9,14-15,19H,10-13,16H2,1-4H3