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

Systemtic Name: methyl 4-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O6S/c1-4-23(30(26,27)16-10-11-18(29-5-2)17(21)12-16)13-19(24)22-15-8-6-14(7-9-15)20(25)28-3/h6-12H,4-5,13H2,1-3H3,(H,22,24)