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

Systemtic Name: ethyl 4-[2-[(2,3-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[2,3-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(2,3-dimethyl-N-tosyl-anilino)acetyl]amino]-3-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)NC(=O)CN(C2=CC=CC(=C2C)C)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(=C2C)C)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

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