sodium 4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoyl]amino]benzenesulfonate

Systemtic Name: sodium 4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoyl]amino]benzenesulfonate Openeye Name: sodium 4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxo-propanoyl]amino]benzenesulfonate CAS Name: sodium 3-[[1,3-dioxo-3-[3-(1-oxooctadecylamino)phenyl]propyl]amino]-4-methoxybenzenesulfonate IUPAC Name: sodium 4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxopropanoyl]amino]benzenesulfonate Traditional Name: sodium 3-[[3-keto-3-(3-stearamidophenyl)propanoyl]amino]-4-methoxy-besylate Formula: C34H49N2NaO7S MolecularWeight: 652.81683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C34H50N2O7S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33(38)35-28-20-18-19-27(24-28)31(37)26-34(39)36-30-25-29(44(40,41)42)22-23-32(30)43-2;/h18-20,22-25H,3-17,21,26H2,1-2H3,(H,35,38)(H,36,39)(H,40,41,42);/q;+1/p-1