3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]butane-1-sulfonic acid

Systemtic Name: 3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]butane-1-sulfonic acid Openeye Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]butane-1-sulfonic acid CAS Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]-1-butanesulfonic acid IUPAC Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]butane-1-sulfonic acid Traditional Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]butane-1-sulfonic acid Formula: C11H16Cl2N2O5S2 MolecularWeight: 391.29114

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)O)N(C)S(=O)(=O)C1=C(C=C(C(=C1)Cl)N)Cl

Isomeric SMILES

CC(CCS(=O)(=O)O)N(C)S(=O)(=O)C1=C(C=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C11H16Cl2N2O5S2/c1-7(3-4-21(16,17)18)15(2)22(19,20)11-6-8(12)10(14)5-9(11)13/h5-7H,3-4,14H2,1-2H3,(H,16,17,18)