ethyl 3-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonyl-anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-[dimethylamino(oxo)methyl]-N-methylsulfonylanilino]-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonylanilino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(dimethylcarbamoyl)-N-mesyl-anilino]acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-6-31-22(28)17-8-7-15(2)19(13-17)23-20(26)14-25(32(5,29)30)18-11-9-16(10-12-18)21(27)24(3)4/h7-13H,6,14H2,1-5H3,(H,23,26)