3-azanyl-N-[2,3-bis(chloranyl)-4,6-disulfamoyl-phenyl]propanamide

Systemtic Name: 3-azanyl-N-[2,3-bis(chloranyl)-4,6-disulfamoyl-phenyl]propanamide Openeye Name: 3-amino-N-(2,3-dichloro-4,6-disulfamoyl-phenyl)propanamide CAS Name: 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide IUPAC Name: 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide Traditional Name: 3-amino-N-(2,3-dichloro-4,6-disulfamoyl-phenyl)propionamide Formula: C9H12Cl2N4O5S2 MolecularWeight: 391.25138

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)NC(=O)CCN)S(=O)(=O)N

Isomeric SMILES

C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)NC(=O)CCN)S(=O)(=O)N

InChI

InChI=1S/C9H12Cl2N4O5S2/c10-7-4(21(13,17)18)3-5(22(14,19)20)9(8(7)11)15-6(16)1-2-12/h3H,1-2,12H2,(H,15,16)(H2,13,17,18)(H2,14,19,20)