4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CC=C3F

InChI

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