butyl 4-[[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate CAS Name: 4-[[[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate Traditional Name: 4-[[5-[mesyl(methyl)amino]-2-methoxy-benzoyl]amino]benzoic acid butyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N(C)S(=O)(=O)C)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N(C)S(=O)(=O)C)OC

InChI

InChI=1S/C21H26N2O6S/c1-5-6-13-29-21(25)15-7-9-16(10-8-15)22-20(24)18-14-17(11-12-19(18)28-3)23(2)30(4,26)27/h7-12,14H,5-6,13H2,1-4H3,(H,22,24)