8-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline

Systemtic Name: 8-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline Openeye Name: 8-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline CAS Name: 8-[[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazinyl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]sulfonyl-3-methylquinoline Traditional Name: 8-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazino]sulfonyl-3-methyl-quinoline Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C(=C4)Cl)OCCCO5

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C(=C4)Cl)OCCCO5

InChI

InChI=1S/C24H26ClN3O4S/c1-17-12-19-4-2-5-22(23(19)26-15-17)33(29,30)28-8-6-27(7-9-28)16-18-13-20(25)24-21(14-18)31-10-3-11-32-24/h2,4-5,12-15H,3,6-11,16H2,1H3