N-[1-(4-hydroxyphenyl)-3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]propan-2-yl]isoquinoline-1-sulfonamide

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]propan-2-yl]isoquinoline-1-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(p-tolylmethoxy)-1-piperidyl]ethyl]isoquinoline-1-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-1-piperidinyl]propan-2-yl]-1-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]propan-2-yl]isoquinoline-1-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(4-methylbenzyl)oxypiperidino]ethyl]isoquinoline-1-sulfonamide Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2CCN(CC2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)COC2CCN(CC2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=NC=CC5=CC=CC=C54

InChI

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