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

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide Traditional Name: 1-(2-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=CC=C4C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)OC1

InChI

InChI=1S/C22H23N3O5S/c23-15-17-4-1-2-5-21(17)31(27,28)25-10-8-16(9-11-25)22(26)24-18-6-7-19-20(14-18)30-13-3-12-29-19/h1-2,4-7,14,16H,3,8-13H2,(H,24,26)