2-[(4-dimethylaminophenyl)diazenyl]-5-(2-iodanylethanoylamino)benzenesulfonic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-(2-iodanylethanoylamino)benzenesulfonic acid Openeye Name: 2-(4-dimethylaminophenyl)azo-5-[(2-iodoacetyl)amino]benzenesulfonic acid CAS Name: 2-(4-dimethylaminophenyl)azo-5-[(2-iodo-1-oxoethyl)amino]benzenesulfonic acid IUPAC Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-[(2-iodoacetyl)amino]benzenesulfonic acid Traditional Name: 2-(4-dimethylaminophenyl)azo-5-[(2-iodoacetyl)amino]besylic acid Formula: C16H17IN4O4S MolecularWeight: 488.30005

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)NC(=O)CI)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)NC(=O)CI)S(=O)(=O)O

InChI

InChI=1S/C16H17IN4O4S/c1-21(2)13-6-3-11(4-7-13)19-20-14-8-5-12(18-16(22)10-17)9-15(14)26(23,24)25/h3-9H,10H2,1-2H3,(H,18,22)(H,23,24,25)