1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]isatin 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)CN4C5=CC=CC=C5C(=O)C4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C5=CC=CC=C5C(=O)C4=O)OC1

InChI

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