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

Systemtic Name: N-methyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]butyl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Traditional Name: N-methyl-N-[4-[4-(2,3,4-trimethoxybenzyl)piperazino]butyl]isoquinoline-5-sulfonamide Formula: C28H38N4O5S MolecularWeight: 542.69012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O5S/c1-30(38(33,34)26-9-7-8-22-20-29-13-12-24(22)26)14-5-6-15-31-16-18-32(19-17-31)21-23-10-11-25(35-2)28(37-4)27(23)36-3/h7-13,20H,5-6,14-19,21H2,1-4H3