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

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-4-morpholinosulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C22H27N3O8S2 MolecularWeight: 525.59508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O8S2/c1-3-33-22(27)17-4-6-18(7-5-17)23-21(26)16-25(34(2,28)29)19-8-10-20(11-9-19)35(30,31)24-12-14-32-15-13-24/h4-11H,3,12-16H2,1-2H3,(H,23,26)