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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-tosylpiperazino)methanone Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H23ClN2O5S/c1-15-3-5-17(6-4-15)30(26,27)24-9-7-23(8-10-24)21(25)16-13-18(22)20-19(14-16)28-11-2-12-29-20/h3-6,13-14H,2,7-12H2,1H3