2-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-5-[(4-methylsulfonylphenyl)carbonylamino]benzenesulfonate

Systemtic Name: 2-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-5-[(4-methylsulfonylphenyl)carbonylamino]benzenesulfonate Openeye Name: 2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-5-[(4-methylsulfonylbenzoyl)amino]benzenesulfonate CAS Name: 2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-5-[[(4-methylsulfonylphenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: 2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-5-[(4-methylsulfonylbenzoyl)amino]benzenesulfonate Traditional Name: 2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-5-[(4-mesylbenzoyl)amino]besylate Formula: C22H19N2O9S3- MolecularWeight: 551.58926

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C22H20N2O9S3/c1-34(26,27)19-10-6-16(7-11-19)22(25)24-18-9-5-15(21(13-18)36(31,32)33)3-2-14-4-8-17(23)12-20(14)35(28,29)30/h2-13H,23H2,1H3,(H,24,25)(H,28,29,30)(H,31,32,33)/p-1/b3-2+