N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H21F2N3O3S MolecularWeight: 409.450146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C19H21F2N3O3S/c1-14-2-3-15(12-18(14)21)13-22-19(25)23-8-10-24(11-9-23)28(26,27)17-6-4-16(20)5-7-17/h2-7,12H,8-11,13H2,1H3,(H,22,25)