sodium (3E)-6-acetamido-3-[[4-[2-(methylamino)ethylsulfonyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (3E)-6-acetamido-3-[[4-[2-(methylamino)ethylsulfonyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (3E)-6-acetamido-3-[[4-[2-(methylamino)ethylsulfonyl]phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: sodium (3E)-6-acetamido-3-[[4-[2-(methylamino)ethylsulfonyl]phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium (3E)-6-acetamido-3-[[4-[2-(methylamino)ethylsulfonyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: sodium (3E)-6-acetamido-4-keto-3-[[4-[2-(methylamino)ethylsulfonyl]phenyl]hydrazono]naphthalene-2-sulfonate Formula: C21H21N4NaO7S2 MolecularWeight: 528.53381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=CC=C(C=C3)S(=O)(=O)CCNC)C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N/NC3=CC=C(C=C3)S(=O)(=O)CCNC)/C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H22N4O7S2.Na/c1-13(26)23-16-4-3-14-11-19(34(30,31)32)20(21(27)18(14)12-16)25-24-15-5-7-17(8-6-15)33(28,29)10-9-22-2;/h3-8,11-12,22,24H,9-10H2,1-2H3,(H,23,26)(H,30,31,32);/q;+1/p-1/b25-20-;