2-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-5-(2-iodanylethanoylamino)benzenesulfonic acid

Systemtic Name: 2-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-5-(2-iodanylethanoylamino)benzenesulfonic acid Openeye Name: 2-[[4-(dimethylamino)-1-naphthyl]azo]-5-[(2-iodoacetyl)amino]benzenesulfonic acid CAS Name: 2-[[4-(dimethylamino)-1-naphthalenyl]azo]-5-[(2-iodo-1-oxoethyl)amino]benzenesulfonic acid IUPAC Name: 2-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-5-[(2-iodoacetyl)amino]benzenesulfonic acid Traditional Name: 2-[[4-(dimethylamino)-1-naphthyl]azo]-5-[(2-iodoacetyl)amino]besylic acid Formula: C20H19IN4O4S MolecularWeight: 538.35873

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3)NC(=O)CI)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3)NC(=O)CI)S(=O)(=O)O

InChI

InChI=1S/C20H19IN4O4S/c1-25(2)18-10-9-16(14-5-3-4-6-15(14)18)23-24-17-8-7-13(22-20(26)12-21)11-19(17)30(27,28)29/h3-11H,12H2,1-2H3,(H,22,26)(H,27,28,29)