N-(4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-hydroxyphenyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-hydroxyphenyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)O

InChI

InChI=1S/C23H22N2O4S/c1-16-6-12-21(13-7-16)30(28,29)25-15-18-5-3-2-4-17(18)14-22(25)23(27)24-19-8-10-20(26)11-9-19/h2-13,22,26H,14-15H2,1H3,(H,24,27)