(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylpiperazino)sulfonylpiperazino]methanone Formula: C19H27ClN4O5S MolecularWeight: 458.95948

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C19H27ClN4O5S/c1-21-3-7-23(8-4-21)30(26,27)24-9-5-22(6-10-24)19(25)15-13-16(20)18-17(14-15)28-11-2-12-29-18/h13-14H,2-12H2,1H3