N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H21FN2O3S2 MolecularWeight: 396.499343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)F

InChI

InChI=1S/C18H21FN2O3S2/c1-13-4-5-14(11-16(13)19)12-20-18(22)15-6-8-21(9-7-15)26(23,24)17-3-2-10-25-17/h2-5,10-11,15H,6-9,12H2,1H3,(H,20,22)