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

Systemtic Name: N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide CAS Name: N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-fluorobenzyl)isonipecotamide Formula: C25H29FN2O5S MolecularWeight: 488.571563

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N(CC4=CC=CC=C4F)C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N(CC4=CC=CC=C4F)C5CC5)OC1

InChI

InChI=1S/C25H29FN2O5S/c26-22-5-2-1-4-19(22)17-28(20-6-7-20)25(29)18-10-12-27(13-11-18)34(30,31)21-8-9-23-24(16-21)33-15-3-14-32-23/h1-2,4-5,8-9,16,18,20H,3,6-7,10-15,17H2