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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(4-fluorophenyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C20H21ClFN3O4S MolecularWeight: 453.914843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3O4S/c1-20(19(27)23-11-14-3-5-15(21)6-4-14)13-24(30(2,28)29)12-18(26)25(20)17-9-7-16(22)8-10-17/h3-10H,11-13H2,1-2H3,(H,23,27)