N-[2-(hydroxymethyl)-4-methyl-phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(hydroxymethyl)-4-methyl-phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(hydroxymethyl)-4-methyl-phenyl]isoquinoline-5-sulfonamide CAS Name: N-[2-(hydroxymethyl)-4-methylphenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(hydroxymethyl)-4-methylphenyl]isoquinoline-5-sulfonamide Traditional Name: N-(4-methyl-2-methylol-phenyl)isoquinoline-5-sulfonamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CO

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CO

InChI

InChI=1S/C17H16N2O3S/c1-12-5-6-16(14(9-12)11-20)19-23(21,22)17-4-2-3-13-10-18-8-7-15(13)17/h2-10,19-20H,11H2,1H3