sodium 5-azanyl-2-[(E)-2-(4-benzamido-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: sodium 5-azanyl-2-[(E)-2-(4-benzamido-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: sodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: sodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: sodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: sodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfo-phenyl)vinyl]besylic acid Formula: C21H18N2NaO7S2+ MolecularWeight: 497.49659

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Descriptors Computed from Structure

Canonical SMILES:

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.[Na+]

Isomeric SMILES

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.[Na+]

InChI

InChI=1S/C21H18N2O7S2.Na/c22-17-10-8-14(19(12-17)31(25,26)27)6-7-15-9-11-18(13-20(15)32(28,29)30)23-21(24)16-4-2-1-3-5-16;/h1-13H,22H2,(H,23,24)(H,25,26,27)(H,28,29,30);/q;+1/b7-6+;