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

Systemtic Name: butyl 4-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H29ClN2O6S MolecularWeight: 497.00416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

InChI

InChI=1S/C23H29ClN2O6S/c1-4-7-14-32-23(28)17-8-10-18(11-9-17)25-22(27)16-26(5-2)33(29,30)19-12-13-21(31-6-3)20(24)15-19/h8-13,15H,4-7,14,16H2,1-3H3,(H,25,27)