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

Systemtic Name: N-[3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]propyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-[4-(2,3,4-trimethoxybenzyl)piperazino]propyl]isoquinoline-5-sulfonamide Formula: C26H34N4O5S MolecularWeight: 514.63696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O5S/c1-33-23-9-8-21(25(34-2)26(23)35-3)19-30-16-14-29(15-17-30)13-5-11-28-36(31,32)24-7-4-6-20-18-27-12-10-22(20)24/h4,6-10,12,18,28H,5,11,13-17,19H2,1-3H3