N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C22H27N3O5S/c26-22(23-19-7-8-20-21(15-19)30-14-4-13-29-20)16-24-9-11-25(12-10-24)31(27,28)17-18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16-17H2,(H,23,26)