ethyl 3-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-5-29-21(26)18-10-7-11-19(14(18)2)22-20(25)13-23(30(4,27)28)17-9-6-8-16(12-17)15(3)24/h6-12H,5,13H2,1-4H3,(H,22,25)