sodium 2-[[(4-benzamido-2,5-dimethoxy-phenyl)amino]-(methylideneamino)amino]ethanesulfonate

Systemtic Name: sodium 2-[[(4-benzamido-2,5-dimethoxy-phenyl)amino]-(methylideneamino)amino]ethanesulfonate Openeye Name: sodium 2-[(4-benzamido-2,5-dimethoxy-anilino)-(methyleneamino)amino]ethanesulfonate CAS Name: sodium 2-[(4-benzamido-2,5-dimethoxyanilino)-(methyleneamino)amino]ethanesulfonate IUPAC Name: sodium 2-[(4-benzamido-2,5-dimethoxyanilino)-(methylideneamino)amino]ethanesulfonate Traditional Name: sodium 2-[(4-benzamido-2,5-dimethoxy-anilino)-(methyleneamino)amino]ethanesulfonate Formula: C18H21N4NaO6S MolecularWeight: 444.43731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NN(CCS(=O)(=O)[O-])N=C.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NN(CCS(=O)(=O)[O-])N=C.[Na+]

InChI

InChI=1S/C18H22N4O6S.Na/c1-19-22(9-10-29(24,25)26)21-15-12-16(27-2)14(11-17(15)28-3)20-18(23)13-7-5-4-6-8-13;/h4-8,11-12,21H,1,9-10H2,2-3H3,(H,20,23)(H,24,25,26);/q;+1/p-1