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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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