4-ethylsulfonyl-1-(4-fluorophenyl)-2-methyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-1-(4-fluorophenyl)-2-methyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-4-ethylsulfonyl-1-(4-fluorophenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-ethylsulfonyl-1-(4-fluorophenyl)-2-methyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-4-ethylsulfonyl-1-(4-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-4-esyl-1-(4-fluorophenyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O4S/c1-3-30(28,29)24-14-19(26)25(18-11-9-17(22)10-12-18)21(2,15-24)20(27)23-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,23,27)