N-ethyl-N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-ethyl-N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-ethyl-N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-ethyl-N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-ethyl-N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-ethyl-N-[2-[4-(2,3,4-trimethoxybenzyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCN(CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

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