4-[4-(aminomethyl)phenyl]sulfonylaniline; 4-azanylbenzenesulfonic acid

Systemtic Name: 4-[4-(aminomethyl)phenyl]sulfonylaniline; 4-azanylbenzenesulfonic acid Openeye Name: 4-aminobenzenesulfonic acid; 4-[4-(aminomethyl)phenyl]sulfonylaniline CAS Name: 4-aminobenzenesulfonic acid; 4-[4-(aminomethyl)phenyl]sulfonylaniline IUPAC Name: 4-aminobenzenesulfonic acid; 4-[4-(aminomethyl)phenyl]sulfonylaniline Traditional Name: 4-aminobesylic acid; [4-[4-(aminomethyl)phenyl]sulfonylphenyl]amine Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)S(=O)(=O)C2=CC=C(C=C2)N.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN)S(=O)(=O)C2=CC=C(C=C2)N.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O2S.C6H7NO3S/c14-9-10-1-5-12(6-2-10)18(16,17)13-7-3-11(15)4-8-13;7-5-1-3-6(4-2-5)11(8,9)10/h1-8H,9,14-15H2;1-4H,7H2,(H,8,9,10)