N-[1-(4-hydroxyphenyl)-3-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(5-isoquinolylsulfonyl)piperazino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C32H33N5O5S2 MolecularWeight: 631.76492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C32H33N5O5S2/c1-35(43(39,40)31-6-2-4-25-21-33-14-12-29(25)31)27(20-24-8-10-28(38)11-9-24)23-36-16-18-37(19-17-36)44(41,42)32-7-3-5-26-22-34-15-13-30(26)32/h2-15,21-22,27,38H,16-20,23H2,1H3