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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-oxidanylpiperidin-1-yl)propan-2-yl]-N-[(4-methylphenyl)methyl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-(4-hydroxy-1-piperidyl)ethyl]-N-(p-tolylmethyl)isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-(4-hydroxy-1-piperidinyl)propan-2-yl]-N-[(4-methylphenyl)methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-hydroxypiperidin-1-yl)propan-2-yl]-N-[(4-methylphenyl)methyl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-(4-hydroxypiperidino)ethyl]-N-(4-methylbenzyl)isoquinoline-5-sulfonamide Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(CC2=CC=C(C=C2)O)CN3CCC(CC3)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN(C(CC2=CC=C(C=C2)O)CN3CCC(CC3)O)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H35N3O4S/c1-23-5-7-25(8-6-23)21-34(39(37,38)31-4-2-3-26-20-32-16-13-30(26)31)27(19-24-9-11-28(35)12-10-24)22-33-17-14-29(36)15-18-33/h2-13,16,20,27,29,35-36H,14-15,17-19,21-22H2,1H3