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

Systemtic Name: ethyl 4-methyl-3-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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)C(C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-6-29-22(26)18-8-7-16(4)20(13-18)23-21(25)14-24(30(5,27)28)19-11-9-17(10-12-19)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,23,25)