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

Systemtic Name: N-[1-(4-isoquinolin-5-ylsulfonylphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[[4-(5-isoquinolylsulfonyl)phenyl]methyl]-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[4-(5-isoquinolinylsulfonyl)phenyl]-3-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-isoquinolin-5-ylsulfonylphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[4-(5-isoquinolylsulfonyl)benzyl]-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C37H35N5O4S2 MolecularWeight: 677.8349

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC(CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H35N5O4S2/c43-47(44,36-10-4-6-29-25-38-18-16-34(29)36)33-14-12-28(13-15-33)24-31(27-41-20-22-42(23-21-41)32-8-2-1-3-9-32)40-48(45,46)37-11-5-7-30-26-39-19-17-35(30)37/h1-19,25-26,31,40H,20-24,27H2