1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-fluoro-3-methyl-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-fluoro-3-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-fluoro-3-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-fluoro-3-methyl-benzyl)isonipecotamide Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)F

InChI

InChI=1S/C23H27FN2O5S/c1-16-13-17(3-5-20(16)24)15-25-23(27)18-7-9-26(10-8-18)32(28,29)19-4-6-21-22(14-19)31-12-2-11-30-21/h3-6,13-14,18H,2,7-12,15H2,1H3,(H,25,27)