2-butyl-6-(hydroxymethyl)-4-(4-methylphenyl)sulfonyl-isoquinolin-1-one

Systemtic Name: 2-butyl-6-(hydroxymethyl)-4-(4-methylphenyl)sulfonyl-isoquinolin-1-one Openeye Name: 2-butyl-6-(hydroxymethyl)-4-(p-tolylsulfonyl)isoquinolin-1-one CAS Name: 2-butyl-6-(hydroxymethyl)-4-(4-methylphenyl)sulfonyl-1-isoquinolinone IUPAC Name: 2-butyl-6-(hydroxymethyl)-4-(4-methylphenyl)sulfonylisoquinolin-1-one Traditional Name: 2-butyl-6-methylol-4-tosyl-isocarbostyril Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C(C1=O)C=CC(=C2)CO)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C=C(C2=C(C1=O)C=CC(=C2)CO)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO4S/c1-3-4-11-22-13-20(27(25,26)17-8-5-15(2)6-9-17)19-12-16(14-23)7-10-18(19)21(22)24/h5-10,12-13,23H,3-4,11,14H2,1-2H3