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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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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)Cl

Isomeric SMILES

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

InChI

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