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

Systemtic Name: N-ethyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Openeye Name: N-ethyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide CAS Name: N-ethyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]butyl]-5-isoquinolinesulfonamide IUPAC Name: N-ethyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Traditional Name: N-ethyl-N-[4-[4-(2,3,4-trimethoxybenzyl)piperazino]butyl]isoquinoline-5-sulfonamide Formula: C29H40N4O5S MolecularWeight: 556.7167

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCN(CCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C29H40N4O5S/c1-5-33(39(34,35)27-10-8-9-23-21-30-14-13-25(23)27)16-7-6-15-31-17-19-32(20-18-31)22-24-11-12-26(36-2)29(38-4)28(24)37-3/h8-14,21H,5-7,15-20,22H2,1-4H3