1,3-bis[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]benzimidazol-2-one

Systemtic Name: 1,3-bis[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]benzimidazol-2-one Openeye Name: 1,3-bis[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]benzimidazol-2-one CAS Name: 1,3-bis[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-2-benzimidazolone IUPAC Name: 1,3-bis[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]benzimidazol-2-one Traditional Name: 1,3-bis[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]benzimidazol-2-one Formula: C35H42N6O9S2 MolecularWeight: 754.87278

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C5=CC=CC=C5N(C4=O)CN6CCN(CC6)S(=O)(=O)C7=CC8=C(C=C7)OCCCO8)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C5=CC=CC=C5N(C4=O)CN6CCN(CC6)S(=O)(=O)C7=CC8=C(C=C7)OCCCO8)OC1

InChI

InChI=1S/C35H42N6O9S2/c42-35-40(25-36-11-15-38(16-12-36)51(43,44)27-7-9-31-33(23-27)49-21-3-19-47-31)29-5-1-2-6-30(29)41(35)26-37-13-17-39(18-14-37)52(45,46)28-8-10-32-34(24-28)50-22-4-20-48-32/h1-2,5-10,23-24H,3-4,11-22,25-26H2