N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-4-(phenylsulfonyl)-1-propyl-piperazine-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-4-(phenylsulfonyl)-1-propyl-piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1-propyl-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1-propyl-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1-propylpiperazine-2-carboxamide Traditional Name: 4-besyl-N-(4-fluorobenzyl)-6-keto-2-methyl-1-propyl-piperazine-2-carboxamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CN(CC1(C)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)CN(CC1(C)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26FN3O4S/c1-3-13-26-20(27)15-25(31(29,30)19-7-5-4-6-8-19)16-22(26,2)21(28)24-14-17-9-11-18(23)12-10-17/h4-12H,3,13-16H2,1-2H3,(H,24,28)