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

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

Isomeric SMILES

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

InChI

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