ethyl 4-[2-[(3-chlorophenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[2-(3-chloro-N-methylsulfonyl-anilino)propanoylamino]-3-methyl-benzoate CAS Name: 4-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxopropyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-N-methylsulfonylanilino)propanoylamino]-3-methylbenzoate Traditional Name: 4-[2-(3-chloro-N-mesyl-anilino)propanoylamino]-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)C(C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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