N-[3-(4-isoquinolin-5-yloxysulfanylperoxyphenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[3-(4-isoquinolin-5-yloxysulfanylperoxyphenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[[4-(5-isoquinolyloxysulfanylperoxy)phenyl]methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[3-[4-(5-isoquinolinyloxythio)dioxyphenyl]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[3-(4-isoquinolin-5-yloxysulfanylperoxyphenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[4-(5-isoquinolyloxythio)peroxybenzyl]-2-keto-2-(4-phenylpiperazino)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C38H35N5O6S2 MolecularWeight: 721.8444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)OOSOC2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)OOSOC2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7

InChI

InChI=1S/C38H35N5O6S2/c1-41(51(45,46)37-12-6-8-30-27-40-20-18-34(30)37)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)47-49-50-48-36-11-5-7-29-26-39-19-17-33(29)36/h2-20,26-27,35H,21-25H2,1H3