7-chloranyl-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]quinoline

Systemtic Name: 7-chloranyl-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]quinoline Openeye Name: 7-chloro-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]quinoline CAS Name: 7-chloro-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]quinoline IUPAC Name: 7-chloro-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]quinoline Traditional Name: 7-chloro-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]quinoline Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl)OC1

InChI

InChI=1S/C22H22ClN3O4S/c23-16-2-4-18-19(14-16)24-7-6-20(18)25-8-10-26(11-9-25)31(27,28)17-3-5-21-22(15-17)30-13-1-12-29-21/h2-7,14-15H,1,8-13H2