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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[4-ethoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-ethoxy-N-tosyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H30N2O6S/c1-5-34-23-12-10-22(11-13-23)29(36(32,33)24-14-7-19(3)8-15-24)18-26(30)28-25-16-9-21(17-20(25)4)27(31)35-6-2/h7-17H,5-6,18H2,1-4H3,(H,28,30)