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

Systemtic Name: ethyl 4-[2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[3-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(3-methoxy-N-tosyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6S/c1-5-34-26(30)20-11-14-24(19(3)15-20)27-25(29)17-28(21-7-6-8-22(16-21)33-4)35(31,32)23-12-9-18(2)10-13-23/h6-16H,5,17H2,1-4H3,(H,27,29)