4-[2-[[2-chloranyl-5-[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]phenyl]amino]butanoyloxy]-2-pentadecyl-benzenesulfonic acid

Systemtic Name: 4-[2-[[2-chloranyl-5-[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]phenyl]amino]butanoyloxy]-2-pentadecyl-benzenesulfonic acid Openeye Name: 4-[2-[2-chloro-5-[(4,4-dimethyl-3-oxo-pentanoyl)amino]anilino]butanoyloxy]-2-pentadecyl-benzenesulfonic acid CAS Name: 4-[2-[2-chloro-5-[(4,4-dimethyl-1,3-dioxopentyl)amino]anilino]-1-oxobutoxy]-2-pentadecylbenzenesulfonic acid IUPAC Name: 4-[2-[2-chloro-5-[(4,4-dimethyl-3-oxopentanoyl)amino]anilino]butanoyloxy]-2-pentadecylbenzenesulfonic acid Traditional Name: 4-[2-[2-chloro-5-[(3-keto-4,4-dimethyl-pentanoyl)amino]anilino]butanoyloxy]-2-pentadecyl-besylic acid Formula: C38H57ClN2O7S MolecularWeight: 721.38638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)C(CC)NC2=C(C=CC(=C2)NC(=O)CC(=O)C(C)(C)C)Cl)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)C(CC)NC2=C(C=CC(=C2)NC(=O)CC(=O)C(C)(C)C)Cl)S(=O)(=O)O

InChI

InChI=1S/C38H57ClN2O7S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-28-25-30(22-24-34(28)49(45,46)47)48-37(44)32(7-2)41-33-26-29(21-23-31(33)39)40-36(43)27-35(42)38(3,4)5/h21-26,32,41H,6-20,27H2,1-5H3,(H,40,43)(H,45,46,47)