1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C)C

InChI

InChI=1S/C22H26FN3O4S/c1-15-5-10-19(11-16(15)2)26-20(27)13-25(31(4,29)30)14-22(26,3)21(28)24-12-17-6-8-18(23)9-7-17/h5-11H,12-14H2,1-4H3,(H,24,28)