N-[4-[2-(isoquinolin-5-ylsulfonylamino)-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-[2-(isoquinolin-5-ylsulfonylamino)-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-[2-(5-isoquinolylsulfonylamino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl]isoquinoline-5-sulfonamide CAS Name: N-[4-[2-(5-isoquinolinylsulfonylamino)-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-[2-(isoquinolin-5-ylsulfonylamino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-[2-(5-isoquinolylsulfonylamino)-3-keto-3-(4-phenylpiperazino)propyl]phenyl]isoquinoline-5-sulfonamide Formula: C37H34N6O5S2 MolecularWeight: 706.83306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5)NS(=O)(=O)C6=CC=CC7=C6C=CN=C7

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5)NS(=O)(=O)C6=CC=CC7=C6C=CN=C7

InChI

InChI=1S/C37H34N6O5S2/c44-37(43-22-20-42(21-23-43)31-8-2-1-3-9-31)34(41-50(47,48)36-11-5-7-29-26-39-19-17-33(29)36)24-27-12-14-30(15-13-27)40-49(45,46)35-10-4-6-28-25-38-18-16-32(28)35/h1-19,25-26,34,40-41H,20-24H2