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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC)OC

InChI

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