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

Systemtic Name: ethyl 3-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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