1-(3-fluorophenyl)-2-methyl-N-(3-methylbutyl)-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: 1-(3-fluorophenyl)-2-methyl-N-(3-methylbutyl)-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-1-(3-fluorophenyl)-N-isopentyl-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-1-(3-fluorophenyl)-2-methyl-N-(3-methylbutyl)-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-1-(3-fluorophenyl)-2-methyl-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide Traditional Name: 4-besyl-1-(3-fluorophenyl)-N-isoamyl-6-keto-2-methyl-piperazine-2-carboxamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1(CN(CC(=O)N1C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)CCNC(=O)C1(CN(CC(=O)N1C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28FN3O4S/c1-17(2)12-13-25-22(29)23(3)16-26(32(30,31)20-10-5-4-6-11-20)15-21(28)27(23)19-9-7-8-18(24)14-19/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,25,29)