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

Systemtic Name: methyl 4-[2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H26N2O6S/c1-32-22-12-14-23(15-13-22)34(30,31)27(17-16-19-6-4-3-5-7-19)18-24(28)26-21-10-8-20(9-11-21)25(29)33-2/h3-15H,16-18H2,1-2H3,(H,26,28)