2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethyl-quinoline

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethyl-quinoline Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethyl-quinoline CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-4,6,8-trimethylquinoline IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethylquinoline Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-4,6,8-trimethyl-quinoline Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)C)C

InChI

InChI=1S/C25H29N3O4S/c1-17-13-19(3)25-21(14-17)18(2)15-24(26-25)27-7-9-28(10-8-27)33(29,30)20-5-6-22-23(16-20)32-12-4-11-31-22/h5-6,13-16H,4,7-12H2,1-3H3