5-azanyl-2-[(E)-2-[4-[(4-methylsulfonyl-3-nitro-phenyl)carbonylamino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(E)-2-[4-[(4-methylsulfonyl-3-nitro-phenyl)carbonylamino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-[4-[(4-methylsulfonyl-3-nitro-benzoyl)amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-[4-[[(4-methylsulfonyl-3-nitrophenyl)-oxomethyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-[4-[(4-methylsulfonyl-3-nitrobenzoyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-[4-[(4-mesyl-3-nitro-benzoyl)amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C22H19N3O11S3 MolecularWeight: 597.59476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=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)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=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)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O11S3/c1-37(29,30)19-9-6-15(10-18(19)25(27)28)22(26)24-17-8-5-14(21(12-17)39(34,35)36)3-2-13-4-7-16(23)11-20(13)38(31,32)33/h2-12H,23H2,1H3,(H,24,26)(H,31,32,33)(H,34,35,36)/b3-2+