ethyl 3-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[N-(benzenesulfonyl)-2,5-dimethyl-anilino]acetyl]amino]benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]benzoate Traditional Name: 3-[[2-(N-besyl-2,5-dimethyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S/c1-4-32-25(29)20-9-8-10-21(16-20)26-24(28)17-27(23-15-18(2)13-14-19(23)3)33(30,31)22-11-6-5-7-12-22/h5-16H,4,17H2,1-3H3,(H,26,28)