4-[(4-aminophenyl)sulfonyl-ethyl-amino]benzenesulfonic acid

Systemtic Name: 4-[(4-aminophenyl)sulfonyl-ethyl-amino]benzenesulfonic acid Openeye Name: 4-[(4-aminophenyl)sulfonyl-ethyl-amino]benzenesulfonic acid CAS Name: 4-[(4-aminophenyl)sulfonyl-ethylamino]benzenesulfonic acid IUPAC Name: 4-[(4-aminophenyl)sulfonyl-ethylamino]benzenesulfonic acid Traditional Name: 4-[ethyl(sulfanilyl)amino]besylic acid Formula: C14H16N2O5S2 MolecularWeight: 356.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCN(C1=CC=C(C=C1)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H16N2O5S2/c1-2-16(12-5-9-14(10-6-12)23(19,20)21)22(17,18)13-7-3-11(15)4-8-13/h3-10H,2,15H2,1H3,(H,19,20,21)