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

Systemtic Name: ethyl 3-methyl-4-[2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 3-methyl-4-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-isopropyl-N-mesyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2C(C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2C(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C22H28N2O5S/c1-6-29-22(26)17-11-12-19(16(4)13-17)23-21(25)14-24(30(5,27)28)20-10-8-7-9-18(20)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,23,25)