N-(4-azanyl-5-chloranyl-2-oxidanyl-phenyl)benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(4-azanyl-5-chloranyl-2-oxidanyl-phenyl)benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-(4-amino-5-chloro-2-hydroxy-phenyl)benzamide; 4-methylbenzenesulfonic acid CAS Name: N-(4-amino-5-chloro-2-hydroxyphenyl)benzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(4-amino-5-chloro-2-hydroxyphenyl)benzamide; 4-methylbenzenesulfonic acid Traditional Name: N-(4-amino-5-chloro-2-hydroxy-phenyl)benzamide; tosylic acid Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)N)O

InChI

InChI=1S/C13H11ClN2O2.C7H8O3S/c14-9-6-11(12(17)7-10(9)15)16-13(18)8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,17H,15H2,(H,16,18);2-5H,1H3,(H,8,9,10)