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

Systemtic Name: 5-chloranyl-2-isocyanato-1,3-di(propan-2-yl)benzene; 4-(2-oxidanylpropan-2-yl)thiophene-2-sulfonamide Openeye Name: 5-chloro-2-isocyanato-1,3-diisopropyl-benzene; 4-(1-hydroxy-1-methyl-ethyl)thiophene-2-sulfonamide CAS Name: 5-chloro-2-isocyanato-1,3-di(propan-2-yl)benzene; 4-(2-hydroxypropan-2-yl)-2-thiophenesulfonamide IUPAC Name: 5-chloro-2-isocyanato-1,3-di(propan-2-yl)benzene; 4-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide Traditional Name: 5-chloro-2-isocyanato-1,3-diisopropyl-benzene; 4-(1-hydroxy-1-methyl-ethyl)thiophene-2-sulfonamide Formula: C20H27ClN2O4S2 MolecularWeight: 459.02238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)Cl.CC(C)(C1=CSC(=C1)S(=O)(=O)N)O

Isomeric SMILES

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)Cl.CC(C)(C1=CSC(=C1)S(=O)(=O)N)O

InChI

InChI=1S/C13H16ClNO.C7H11NO3S2/c1-8(2)11-5-10(14)6-12(9(3)4)13(11)15-7-16;1-7(2,9)5-3-6(12-4-5)13(8,10)11/h5-6,8-9H,1-4H3;3-4,9H,1-2H3,(H2,8,10,11)