4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxo-propanoyl]amino]benzenesulfonic acid CAS Name: 3-[[1,3-dioxo-3-[3-(1-oxooctadecylamino)phenyl]propyl]amino]-4-methoxybenzenesulfonic acid IUPAC Name: 4-methoxy-3-[[3-[3-(octadecanoylamino)phenyl]-3-oxopropanoyl]amino]benzenesulfonic acid Traditional Name: 3-[[3-keto-3-(3-stearamidophenyl)propanoyl]amino]-4-methoxy-besylic acid Formula: C34H50N2O7S MolecularWeight: 630.835

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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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC

InChI

InChI=1S/C34H50N2O7S/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)