1-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]phenyl]ethanone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O5S/c1-16(24)17-3-5-18(6-4-17)22-9-11-23(12-10-22)29(25,26)19-7-8-20-21(15-19)28-14-2-13-27-20/h3-8,15H,2,9-14H2,1H3