4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]acetyl]amino]-N-methyl-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N4O6S/c1-24-23(29)17-3-5-18(6-4-17)25-22(28)16-26-9-11-27(12-10-26)34(30,31)19-7-8-20-21(15-19)33-14-2-13-32-20/h3-8,15H,2,9-14,16H2,1H3,(H,24,29)(H,25,28)