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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(3-chloro-4-methyl-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(3-chloro-N-mesyl-4-methyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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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)C)Cl)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S/c1-5-28-20(25)15-7-9-18(14(3)10-15)22-19(24)12-23(29(4,26)27)16-8-6-13(2)17(21)11-16/h6-11H,5,12H2,1-4H3,(H,22,24)