2-chloranylaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid

Systemtic Name: 2-chloranylaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid Openeye Name: 2-chloroaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid CAS Name: 2-chloroaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid IUPAC Name: 2-chloroaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid Traditional Name: (2-chlorophenyl)amine; 4-methyl-3-(sulfonylamino)besylic acid Formula: C13H13ClN2O5S2 MolecularWeight: 376.83572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S2.C6H6ClN/c1-5-2-3-6(15(11,12)13)4-7(5)8-14(9)10;7-5-3-1-2-4-6(5)8/h2-4H,1H3,(H,11,12,13);1-4H,8H2