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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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