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

Systemtic Name: methyl 3-[2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-4-morpholinosulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C21H25N3O8S2 MolecularWeight: 511.5685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O8S2/c1-31-21(26)16-4-3-5-17(14-16)22-20(25)15-24(33(2,27)28)18-6-8-19(9-7-18)34(29,30)23-10-12-32-13-11-23/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)