methyl 4-methyl-3-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-benzyloxy-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-benzoxy-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C25H26N2O6S/c1-18-9-10-20(25(29)32-2)15-23(18)26-24(28)16-27(34(3,30)31)21-11-13-22(14-12-21)33-17-19-7-5-4-6-8-19/h4-15H,16-17H2,1-3H3,(H,26,28)