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

Systemtic Name: ethyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(3-chloro-N-mesyl-4-methoxy-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O6S/c1-5-29-20(25)15-7-6-8-17(13(15)2)22-19(24)12-23(30(4,26)27)14-9-10-18(28-3)16(21)11-14/h6-11H,5,12H2,1-4H3,(H,22,24)