8-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-quinoline

Systemtic Name: 8-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-quinoline Openeye Name: 8-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-quinoline CAS Name: 8-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonyl-3-methylquinoline Traditional Name: 8-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]sulfonyl-3-methyl-quinoline Formula: C23H25N3O4S MolecularWeight: 439.5273

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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)OCCO5

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N3O4S/c1-17-13-19-3-2-4-22(23(19)24-15-17)31(27,28)26-9-7-25(8-10-26)16-18-5-6-20-21(14-18)30-12-11-29-20/h2-6,13-15H,7-12,16H2,1H3