5-bromanyl-2-isocyanato-1,3-di(propan-2-yl)benzene; 3-(1-hydroxyethyl)benzenesulfonamide

Systemtic Name: 5-bromanyl-2-isocyanato-1,3-di(propan-2-yl)benzene; 3-(1-hydroxyethyl)benzenesulfonamide Openeye Name: 5-bromo-2-isocyanato-1,3-diisopropyl-benzene; 3-(1-hydroxyethyl)benzenesulfonamide CAS Name: 5-bromo-2-isocyanato-1,3-di(propan-2-yl)benzene; 3-(1-hydroxyethyl)benzenesulfonamide IUPAC Name: 5-bromo-2-isocyanato-1,3-di(propan-2-yl)benzene; 3-(1-hydroxyethyl)benzenesulfonamide Traditional Name: 5-bromo-2-isocyanato-1,3-diisopropyl-benzene; 3-(1-hydroxyethyl)benzenesulfonamide Formula: C21H27BrN2O4S MolecularWeight: 483.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)Br.CC(C1=CC(=CC=C1)S(=O)(=O)N)O

Isomeric SMILES

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)Br.CC(C1=CC(=CC=C1)S(=O)(=O)N)O

InChI

InChI=1S/C13H16BrNO.C8H11NO3S/c1-8(2)11-5-10(14)6-12(9(3)4)13(11)15-7-16;1-6(10)7-3-2-4-8(5-7)13(9,11)12/h5-6,8-9H,1-4H3;2-6,10H,1H3,(H2,9,11,12)