N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H23ClN2O5S2 MolecularWeight: 470.99002

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl)OC1

InChI

InChI=1S/C20H23ClN2O5S2/c21-16-11-14(12-17-19(16)28-9-2-8-27-17)13-22-20(24)15-4-6-23(7-5-15)30(25,26)18-3-1-10-29-18/h1,3,10-12,15H,2,4-9,13H2,(H,22,24)