5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-8-ethoxy-quinoline

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-8-ethoxy-quinoline Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-8-ethoxy-quinoline CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-8-ethoxyquinoline IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-8-ethoxyquinoline Traditional Name: 8-ethoxy-5-(4-piperonylpiperazino)sulfonyl-quinoline Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C=CC=N2

InChI

InChI=1S/C23H25N3O5S/c1-2-29-20-7-8-22(18-4-3-9-24-23(18)20)32(27,28)26-12-10-25(11-13-26)15-17-5-6-19-21(14-17)31-16-30-19/h3-9,14H,2,10-13,15-16H2,1H3