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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-keto-4-mesyl-1-(4-methoxyphenyl)-2-methyl-piperazine-2-carboxamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C2=CC=C(C=C2)OC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1(CN(CC(=O)N1C2=CC=C(C=C2)OC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O5S/c1-21(20(27)23-12-15-4-6-16(22)7-5-15)14-24(31(3,28)29)13-19(26)25(21)17-8-10-18(30-2)11-9-17/h4-11H,12-14H2,1-3H3,(H,23,27)