ethyl 4-methyl-3-[2-[(3-methylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[2-[(3-methylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[N-(benzenesulfonyl)-3-methyl-anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-3-methylanilino]-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-besyl-3-methyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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