3-[(4-aminophenyl)sulfonyl-methyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-aminophenyl)sulfonyl-methyl-amino]propane-1-sulfonic acid Openeye Name: 3-[(4-aminophenyl)sulfonyl-methyl-amino]propane-1-sulfonic acid CAS Name: 3-[(4-aminophenyl)sulfonyl-methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(4-aminophenyl)sulfonyl-methylamino]propane-1-sulfonic acid Traditional Name: 3-[methyl(sulfanilyl)amino]propane-1-sulfonic acid Formula: C10H16N2O5S2 MolecularWeight: 308.37444

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCS(=O)(=O)O)S(=O)(=O)C1=CC=C(C=C1)N

Isomeric SMILES

CN(CCCS(=O)(=O)O)S(=O)(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C10H16N2O5S2/c1-12(7-2-8-18(13,14)15)19(16,17)10-5-3-9(11)4-6-10/h3-6H,2,7-8,11H2,1H3,(H,13,14,15)