methyl 4-methyl-2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[4-[methyl(p-tolylsulfonyl)amino]benzoyl]amino]pentanoate CAS Name: 4-methyl-2-[[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]pentanoate Traditional Name: 4-methyl-2-[[4-[methyl(tosyl)amino]benzoyl]amino]valeric acid methyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C22H28N2O5S/c1-15(2)14-20(22(26)29-5)23-21(25)17-8-10-18(11-9-17)24(4)30(27,28)19-12-6-16(3)7-13-19/h6-13,15,20H,14H2,1-5H3,(H,23,25)