N-[1-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide

Systemtic Name: N-[1-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide Openeye Name: N-[1-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide CAS Name: N-[1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]ethyl]-8-ethoxy-5-quinolinesulfonamide IUPAC Name: N-[1-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethyl]-8-ethoxyquinoline-5-sulfonamide Traditional Name: 8-ethoxy-N-[1-(4-homoveratrylpiperazino)ethyl]quinoline-5-sulfonamide Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC(C)N3CCN(CC3)CCC4=CC(=C(C=C4)OC)OC)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC(C)N3CCN(CC3)CCC4=CC(=C(C=C4)OC)OC)C=CC=N2

InChI

InChI=1S/C27H36N4O5S/c1-5-36-24-10-11-26(22-7-6-13-28-27(22)24)37(32,33)29-20(2)31-17-15-30(16-18-31)14-12-21-8-9-23(34-3)25(19-21)35-4/h6-11,13,19-20,29H,5,12,14-18H2,1-4H3