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

Systemtic Name: 1-butyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-1-butyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-1-butyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-1-butyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 4-besyl-1-butyl-N-(4-fluorobenzyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CN(CC1(C)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)CN(CC1(C)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28FN3O4S/c1-3-4-14-27-21(28)16-26(32(30,31)20-8-6-5-7-9-20)17-23(27,2)22(29)25-15-18-10-12-19(24)13-11-18/h5-13H,3-4,14-17H2,1-2H3,(H,25,29)