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

Systemtic Name: N-ethyl-N-[1-phenyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-ethyl-N-[1-phenyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-ethyl-N-[1-phenyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-ethyl-N-[1-phenyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-ethyl-N-[1-phenyl-2-[4-(2,3,4-trimethoxybenzyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C33H40N4O5S MolecularWeight: 604.7595

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CCN(C(CN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C33H40N4O5S/c1-5-37(43(38,39)31-13-9-12-26-22-34-17-16-28(26)31)29(25-10-7-6-8-11-25)24-36-20-18-35(19-21-36)23-27-14-15-30(40-2)33(42-4)32(27)41-3/h6-17,22,29H,5,18-21,23-24H2,1-4H3