ethyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC(=C(C=C2)OCC)C

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC(=C(C=C2)OCC)C

InChI

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