4-(3,4-dimethylphenyl)sulfonyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(3-fluoro-4-methyl-phenyl)methyl]piperazine-1-carboxamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(3-fluoro-4-methyl-benzyl)piperazine-1-carboxamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)C)F)C

InChI

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