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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-(2-thiophen-2-ylethyl)-2-piperazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide Formula: C20H24FN3O4S2 MolecularWeight: 453.550663

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CCC2=CC=CS2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1(CN(CC(=O)N1CCC2=CC=CS2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O4S2/c1-20(19(26)22-12-15-5-7-16(21)8-6-15)14-23(30(2,27)28)13-18(25)24(20)10-9-17-4-3-11-29-17/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,26)