2-isocyanato-1,3-di(propan-2-yl)benzene; 4-(2-oxidanylpropan-2-yl)furan-2-sulfonamide

Systemtic Name: 2-isocyanato-1,3-di(propan-2-yl)benzene; 4-(2-oxidanylpropan-2-yl)furan-2-sulfonamide Openeye Name: 4-(1-hydroxy-1-methyl-ethyl)furan-2-sulfonamide; 2-isocyanato-1,3-diisopropyl-benzene CAS Name: 4-(2-hydroxypropan-2-yl)-2-furansulfonamide; 2-isocyanato-1,3-di(propan-2-yl)benzene IUPAC Name: 4-(2-hydroxypropan-2-yl)furan-2-sulfonamide; 2-isocyanato-1,3-di(propan-2-yl)benzene Traditional Name: 4-(1-hydroxy-1-methyl-ethyl)furan-2-sulfonamide; 2-isocyanato-1,3-diisopropyl-benzene Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O.CC(C)(C1=COC(=C1)S(=O)(=O)N)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O.CC(C)(C1=COC(=C1)S(=O)(=O)N)O

InChI

InChI=1S/C13H17NO.C7H11NO4S/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15;1-7(2,9)5-3-6(12-4-5)13(8,10)11/h5-7,9-10H,1-4H3;3-4,9H,1-2H3,(H2,8,10,11)