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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H34N4O5S/c1-28(36(31,32)24-7-5-6-20-18-27-11-10-22(20)24)12-13-29-14-16-30(17-15-29)19-21-8-9-23(33-2)26(35-4)25(21)34-3/h5-11,18H,12-17,19H2,1-4H3