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

Systemtic Name: N-butyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Openeye Name: N-butyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide CAS Name: N-butyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]butyl]-5-isoquinolinesulfonamide IUPAC Name: N-butyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Traditional Name: N-butyl-N-[4-[4-(2,3,4-trimethoxybenzyl)piperazino]butyl]isoquinoline-5-sulfonamide Formula: C31H44N4O5S MolecularWeight: 584.76986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N4O5S/c1-5-6-17-35(41(36,37)29-11-9-10-25-23-32-15-14-27(25)29)18-8-7-16-33-19-21-34(22-20-33)24-26-12-13-28(38-2)31(40-4)30(26)39-3/h9-15,23H,5-8,16-22,24H2,1-4H3