ethyl 3-[2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3,5-dimethyl-N-tosyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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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)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5S/c1-6-34-27(31)22-10-9-21(5)25(16-22)28-26(30)17-29(23-14-19(3)13-20(4)15-23)35(32,33)24-11-7-18(2)8-12-24/h7-16H,6,17H2,1-5H3,(H,28,30)