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

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-8-ethoxy-5-quinolinesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-8-ethoxyquinoline-5-sulfonamide Traditional Name: 8-ethoxy-N-[1-(4-piperonylpiperazino)ethyl]quinoline-5-sulfonamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S/c1-3-32-22-8-9-24(20-5-4-10-26-25(20)22)35(30,31)27-18(2)29-13-11-28(12-14-29)16-19-6-7-21-23(15-19)34-17-33-21/h4-10,15,18,27H,3,11-14,16-17H2,1-2H3