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

Systemtic Name: ethyl 2-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-5-28-21(25)18-8-6-7-9-19(18)22-20(24)14-23(29(4,26)27)17-12-10-16(11-13-17)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,24)