N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-piperidine-4-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-isonipecotamide Formula: C23H26ClFN2O5S MolecularWeight: 496.979343

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H26ClFN2O5S/c1-26(15-18-19(24)4-2-5-20(18)25)23(28)16-8-10-27(11-9-16)33(29,30)17-6-7-21-22(14-17)32-13-3-12-31-21/h2,4-7,14,16H,3,8-13,15H2,1H3