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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-hydroxyphenyl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[(4-benzylsulfonylpiperazino)methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H34N4O5S2 MolecularWeight: 594.74476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H34N4O5S2/c1-32(41(38,39)30-9-5-8-26-21-31-15-14-29(26)30)27(20-24-10-12-28(35)13-11-24)22-33-16-18-34(19-17-33)40(36,37)23-25-6-3-2-4-7-25/h2-15,21,27,35H,16-20,22-23H2,1H3