5-(2-azanyl-4-chloranyl-phenyl)sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-(2-azanyl-4-chloranyl-phenyl)sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-(2-amino-4-chloro-phenyl)sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-(2-amino-4-chlorophenyl)sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-(2-amino-4-chlorophenyl)sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-(2-amino-4-chloro-phenyl)sulfonyl-2-methyl-besylic acid Formula: C13H12ClNO5S2 MolecularWeight: 361.82108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N)S(=O)(=O)O

InChI

InChI=1S/C13H12ClNO5S2/c1-8-2-4-10(7-13(8)22(18,19)20)21(16,17)12-5-3-9(14)6-11(12)15/h2-7H,15H2,1H3,(H,18,19,20)