sodium N1,N3-bis[(2,4-dimethylphenoxy)methyl]-5-sulfinato-benzene-1,3-dicarboxamide

Systemtic Name: sodium N1,N3-bis[(2,4-dimethylphenoxy)methyl]-5-sulfinato-benzene-1,3-dicarboxamide Openeye Name: sodium N1,N3-bis[(2,4-dimethylphenoxy)methyl]-5-sulfinato-benzene-1,3-dicarboxamide CAS Name: sodium N1,N3-bis[(2,4-dimethylphenoxy)methyl]-5-sulfinatobenzene-1,3-dicarboxamide IUPAC Name: sodium 1-N,3-N-bis[(2,4-dimethylphenoxy)methyl]-5-sulfinatobenzene-1,3-dicarboxamide Traditional Name: sodium N,N'-bis[(2,4-dimethylphenoxy)methyl]-5-sulfinato-isophthalamide Formula: C26H27N2NaO6S MolecularWeight: 518.55715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCNC(=O)C2=CC(=CC(=C2)[S-](=O)=O)C(=O)NCOC3=C(C=C(C=C3)C)C)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OCNC(=O)C2=CC(=CC(=C2)[S-](=O)=O)C(=O)NCOC3=C(C=C(C=C3)C)C)C.[Na+]

InChI

InChI=1S/C26H27N2O6S.Na/c1-16-5-7-23(18(3)9-16)33-14-27-25(29)20-11-21(13-22(12-20)35(31)32)26(30)28-15-34-24-8-6-17(2)10-19(24)4;/h5-13H,14-15H2,1-4H3,(H,27,29)(H,28,30);/q-1;+1