3-[[4-azanyl-3,5-bis(chloranyl)phenyl]sulfonyl-propyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[[4-azanyl-3,5-bis(chloranyl)phenyl]sulfonyl-propyl-amino]propane-1-sulfonic acid Openeye Name: 3-[(4-amino-3,5-dichloro-phenyl)sulfonyl-propyl-amino]propane-1-sulfonic acid CAS Name: 3-[(4-amino-3,5-dichlorophenyl)sulfonyl-propylamino]-1-propanesulfonic acid IUPAC Name: 3-[(4-amino-3,5-dichlorophenyl)sulfonyl-propylamino]propane-1-sulfonic acid Traditional Name: 3-[(4-amino-3,5-dichloro-phenyl)sulfonyl-propyl-amino]propane-1-sulfonic acid Formula: C12H18Cl2N2O5S2 MolecularWeight: 405.31772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C(=C1)Cl)N)Cl

Isomeric SMILES

CCCN(CCCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C12H18Cl2N2O5S2/c1-2-4-16(5-3-6-22(17,18)19)23(20,21)9-7-10(13)12(15)11(14)8-9/h7-8H,2-6,15H2,1H3,(H,17,18,19)