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

Systemtic Name: ethyl 3-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[2-(4-ethoxy-N-methylsulfonyl-anilino)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(4-ethoxy-N-mesyl-anilino)propanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)C)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-6-29-19-12-10-18(11-13-19)24(31(5,27)28)16(4)21(25)23-20-14-17(9-8-15(20)3)22(26)30-7-2/h8-14,16H,6-7H2,1-5H3,(H,23,25)