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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-1-(3-phenylpropyl)piperazine-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-(3-phenylpropyl)piperazine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-(3-phenylpropyl)-2-piperazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-(3-phenylpropyl)piperazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-1-(3-phenylpropyl)piperazine-2-carboxamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CCCC2=CC=CC=C2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1(CN(CC(=O)N1CCCC2=CC=CC=C2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O4S/c1-23(22(29)25-15-19-10-12-20(24)13-11-19)17-26(32(2,30)31)16-21(28)27(23)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,25,29)