ethyl 3-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(N-methylsulfonyl-4-propoxy-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(N-methylsulfonyl-4-propoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(N-methylsulfonyl-4-propoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-4-propoxy-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S/c1-4-13-29-19-11-9-18(10-12-19)23(30(3,26)27)15-20(24)22-17-8-6-7-16(14-17)21(25)28-5-2/h6-12,14H,4-5,13,15H2,1-3H3,(H,22,24)