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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O5S/c1-25(16-17-4-2-5-19(24)14-17)23(27)18-8-10-26(11-9-18)32(28,29)20-6-7-21-22(15-20)31-13-3-12-30-21/h2,4-7,14-15,18H,3,8-13,16H2,1H3