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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-methyl-1-(3-methylbutyl)-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-isopentyl-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(3-methylbutyl)-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(3-methylbutyl)-6-oxopiperazine-2-carboxamide Traditional Name: 4-besyl-N-(4-fluorobenzyl)-1-isoamyl-6-keto-2-methyl-piperazine-2-carboxamide Formula: C24H30FN3O4S MolecularWeight: 475.576103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CN(CC1(C)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)CN(CC1(C)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H30FN3O4S/c1-18(2)13-14-28-22(29)16-27(33(31,32)21-7-5-4-6-8-21)17-24(28,3)23(30)26-15-19-9-11-20(25)12-10-19/h4-12,18H,13-17H2,1-3H3,(H,26,30)