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

Systemtic Name: N-[1-phenyl-1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[2-benzyloxy-2-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-phenyl-1-phenylmethoxy-3-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-phenyl-1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-benzoxy-2-phenyl-1-[(4-phenylpiperazino)methyl]ethyl]isoquinoline-5-sulfonamide Formula: C35H36N4O3S MolecularWeight: 592.75034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C(C2=CC=CC=C2)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(C(C2=CC=CC=C2)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H36N4O3S/c40-43(41,34-18-10-15-30-25-36-20-19-32(30)34)37-33(26-38-21-23-39(24-22-38)31-16-8-3-9-17-31)35(29-13-6-2-7-14-29)42-27-28-11-4-1-5-12-28/h1-20,25,33,35,37H,21-24,26-27H2