4-butylsulfonyl-3-oxidanyl-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 4-butylsulfonyl-3-oxidanyl-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-4-butylsulfonyl-3-hydroxy-isoquinolin-1-one CAS Name: 4-butylsulfonyl-3-hydroxy-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-4-butylsulfonyl-3-hydroxyisoquinolin-1-one Traditional Name: 2-benzyl-4-butylsulfonyl-3-hydroxy-isocarbostyril Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)O

Isomeric SMILES

CCCCS(=O)(=O)C1=C(N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO4S/c1-2-3-13-26(24,25)18-16-11-7-8-12-17(16)19(22)21(20(18)23)14-15-9-5-4-6-10-15/h4-12,23H,2-3,13-14H2,1H3