ethyl 4-methyl-3-[2-[methylsulfonyl-(4-propan-2-yloxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[2-[methylsulfonyl-(4-propan-2-yloxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-isopropoxy-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-isopropoxy-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=C(C=C2)OC(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=C(C=C2)OC(C)C)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-6-29-22(26)17-8-7-16(4)20(13-17)23-21(25)14-24(31(5,27)28)18-9-11-19(12-10-18)30-15(2)3/h7-13,15H,6,14H2,1-5H3,(H,23,25)