N-[(3-fluorophenyl)methyl]-4-methylsulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-4-methylsulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-4-methylsulfonyl-piperazine-1-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-4-methylsulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide Traditional Name: N-(3-fluorobenzyl)-4-mesyl-piperazine-1-carboxamide Formula: C13H18FN3O3S MolecularWeight: 315.363723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)NCC2=CC(=CC=C2)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)NCC2=CC(=CC=C2)F

InChI

InChI=1S/C13H18FN3O3S/c1-21(19,20)17-7-5-16(6-8-17)13(18)15-10-11-3-2-4-12(14)9-11/h2-4,9H,5-8,10H2,1H3,(H,15,18)