3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonylamino]propane-1-sulfonic acid Openeye Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonylamino]propane-1-sulfonic acid CAS Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonylamino]-1-propanesulfonic acid IUPAC Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonylamino]propane-1-sulfonic acid Traditional Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonylamino]propane-1-sulfonic acid Formula: C9H12Cl2N2O5S2 MolecularWeight: 363.23798

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)S(=O)(=O)NCCCS(=O)(=O)O)Cl)N

Isomeric SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)NCCCS(=O)(=O)O)Cl)N

InChI

InChI=1S/C9H12Cl2N2O5S2/c10-6-5-9(7(11)4-8(6)12)20(17,18)13-2-1-3-19(14,15)16/h4-5,13H,1-3,12H2,(H,14,15,16)