sodium N-[3-(2,4-dimethylphenoxy)propyl]-3-[[3-(2,4-dimethylphenoxy)propylamino]oxymethyl]-5-sulfinato-benzamide

Systemtic Name: sodium N-[3-(2,4-dimethylphenoxy)propyl]-3-[[3-(2,4-dimethylphenoxy)propylamino]oxymethyl]-5-sulfinato-benzamide Openeye Name: sodium N-[3-(2,4-dimethylphenoxy)propyl]-3-[[3-(2,4-dimethylphenoxy)propylamino]oxymethyl]-5-sulfinato-benzamide CAS Name: sodium N-[3-(2,4-dimethylphenoxy)propyl]-3-[[3-(2,4-dimethylphenoxy)propylamino]oxymethyl]-5-sulfinatobenzamide IUPAC Name: sodium N-[3-(2,4-dimethylphenoxy)propyl]-3-[[3-(2,4-dimethylphenoxy)propylamino]oxymethyl]-5-sulfinatobenzamide Traditional Name: sodium N-[3-(2,4-dimethylphenoxy)propyl]-3-[[3-(2,4-dimethylphenoxy)propylamino]oxymethyl]-5-sulfinato-benzamide Formula: C30H37N2NaO6S MolecularWeight: 576.67935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=CC(=C2)[S-](=O)=O)CONCCCOC3=C(C=C(C=C3)C)C)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=CC(=C2)[S-](=O)=O)CONCCCOC3=C(C=C(C=C3)C)C)C.[Na+]

InChI

InChI=1S/C30H37N2O6S.Na/c1-21-7-9-28(23(3)15-21)36-13-5-11-31-30(33)26-17-25(18-27(19-26)39(34)35)20-38-32-12-6-14-37-29-10-8-22(2)16-24(29)4;/h7-10,15-19,32H,5-6,11-14,20H2,1-4H3,(H,31,33);/q-1;+1