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

Systemtic Name: ethyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(3-chloro-N-mesyl-4-methoxy-anilino)propanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6S/c1-6-30-21(26)15-8-7-13(2)18(11-15)23-20(25)14(3)24(31(5,27)28)16-9-10-19(29-4)17(22)12-16/h7-12,14H,6H2,1-5H3,(H,23,25)