ethyl 3-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-6-29-21(26)16-9-7-13(2)18(11-16)23-20(25)15(4)24(30(5,27)28)19-12-17(22)10-8-14(19)3/h7-12,15H,6H2,1-5H3,(H,23,25)