1-(4-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isonipecotamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)OC1

InChI

InChI=1S/C22H23N3O5S/c23-15-16-2-5-19(6-3-16)31(27,28)25-10-8-17(9-11-25)22(26)24-18-4-7-20-21(14-18)30-13-1-12-29-20/h2-7,14,17H,1,8-13H2,(H,24,26)