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

Systemtic Name: ethyl 3-[2-[(2,5-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-[2,5-dimethoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(2,5-dimethoxy-N-tosyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C27H30N2O7S MolecularWeight: 526.6013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O7S/c1-6-36-27(31)20-10-9-19(3)23(15-20)28-26(30)17-29(24-16-21(34-4)11-14-25(24)35-5)37(32,33)22-12-7-18(2)8-13-22/h7-16H,6,17H2,1-5H3,(H,28,30)