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

Systemtic Name: N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[4-(2,3,4-trimethoxybenzyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O5S/c1-32-22-8-7-20(24(33-2)25(22)34-3)18-29-15-13-28(14-16-29)12-11-27-35(30,31)23-6-4-5-19-17-26-10-9-21(19)23/h4-10,17,27H,11-16,18H2,1-3H3