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

Systemtic Name: N-[1-[3,4-bis(phenylmethoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(3,4-dibenzyloxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[3,4-bis(phenylmethoxy)phenyl]-3-(4-phenyl-1-piperazinyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[3,4-bis(phenylmethoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(3,4-dibenzoxybenzyl)-2-(4-phenylpiperazino)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C43H44N4O4S MolecularWeight: 712.89886

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7

Isomeric SMILES

CN(C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7

InChI

InChI=1S/C43H44N4O4S/c1-45(52(48,49)43-19-11-16-37-30-44-23-22-40(37)43)39(31-46-24-26-47(27-25-46)38-17-9-4-10-18-38)28-36-20-21-41(50-32-34-12-5-2-6-13-34)42(29-36)51-33-35-14-7-3-8-15-35/h2-23,29-30,39H,24-28,31-33H2,1H3