ethyl 4-[2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H28N2O6S/c1-3-34-26(30)21-9-11-22(12-10-21)27-25(29)19-28(18-17-20-7-5-4-6-8-20)35(31,32)24-15-13-23(33-2)14-16-24/h4-16H,3,17-19H2,1-2H3,(H,27,29)