[4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-piperazin-2-yl-propyl]phenyl] isoquinoline-5-sulfonate

Systemtic Name: [4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-piperazin-2-yl-propyl]phenyl] isoquinoline-5-sulfonate Openeye Name: [4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-piperazin-2-yl-propyl]phenyl] isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid [4-[2-[5-isoquinolinylsulfonyl(methyl)amino]-3-(2-piperazinyl)propyl]phenyl] ester IUPAC Name: [4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-piperazin-2-ylpropyl]phenyl] isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid [4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-piperazin-2-yl-propyl]phenyl] ester Formula: C32H33N5O5S2 MolecularWeight: 631.76492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1CNCCN1)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

CN(C(CC1CNCCN1)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C32H33N5O5S2/c1-37(43(38,39)31-6-2-4-24-20-33-14-12-29(24)31)27(19-26-22-35-16-17-36-26)18-23-8-10-28(11-9-23)42-44(40,41)32-7-3-5-25-21-34-15-13-30(25)32/h2-15,20-21,26-27,35-36H,16-19,22H2,1H3