N-[1-(isoquinolin-5-ylsulfonylamino)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenyl-propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(isoquinolin-5-ylsulfonylamino)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenyl-propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(5-isoquinolylsulfonylamino)-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(5-isoquinolinylsulfonylamino)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phenylpropan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(isoquinolin-5-ylsulfonylamino)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(5-isoquinolylsulfonylamino)-1-[[4-(4-methoxyphenyl)piperazino]methyl]-2-phenyl-ethyl]isoquinoline-5-sulfonamide Formula: C38H38N6O5S2 MolecularWeight: 722.87552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC(C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5)NS(=O)(=O)C6=CC=CC7=C6C=CN=C7

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC(C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5)NS(=O)(=O)C6=CC=CC7=C6C=CN=C7

InChI

InChI=1S/C38H38N6O5S2/c1-49-32-15-13-31(14-16-32)44-23-21-43(22-24-44)27-35(41-50(45,46)36-11-5-9-29-25-39-19-17-33(29)36)38(28-7-3-2-4-8-28)42-51(47,48)37-12-6-10-30-26-40-20-18-34(30)37/h2-20,25-26,35,38,41-42H,21-24,27H2,1H3