N-[2-(3-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]acetamide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC(=O)NCCC4=CC(=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC(=O)NCCC4=CC(=CC=C4)Cl)OC1

InChI

InChI=1S/C23H28ClN3O5S/c24-19-4-1-3-18(15-19)7-8-25-23(28)17-26-9-11-27(12-10-26)33(29,30)20-5-6-21-22(16-20)32-14-2-13-31-21/h1,3-6,15-16H,2,7-14,17H2,(H,25,28)