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

Systemtic Name: N-[1-[3,4-bis(phenylmethoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(3,4-dibenzyloxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[3,4-bis(phenylmethoxy)phenyl]-3-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[3,4-bis(phenylmethoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(3,4-dibenzoxybenzyl)-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C42H42N4O4S MolecularWeight: 698.87228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C7=CC=CC=C7

InChI

InChI=1S/C42H42N4O4S/c47-51(48,42-18-10-15-36-29-43-22-21-39(36)42)44-37(30-45-23-25-46(26-24-45)38-16-8-3-9-17-38)27-35-19-20-40(49-31-33-11-4-1-5-12-33)41(28-35)50-32-34-13-6-2-7-14-34/h1-22,28-29,37,44H,23-27,30-32H2