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

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-indoxazen-3-yl-ethanone Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CC4=NOC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CC4=NOC5=CC=CC=C54)OC1

InChI

InChI=1S/C22H23N3O6S/c26-22(15-18-17-4-1-2-5-19(17)31-23-18)24-8-10-25(11-9-24)32(27,28)16-6-7-20-21(14-16)30-13-3-12-29-20/h1-2,4-7,14H,3,8-13,15H2