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

Systemtic Name: ethyl 4-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[dimethylamino(oxo)methyl]-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(dimethylcarbamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H25N3O6S/c1-5-30-21(27)16-6-10-17(11-7-16)22-19(25)14-24(31(4,28)29)18-12-8-15(9-13-18)20(26)23(2)3/h6-13H,5,14H2,1-4H3,(H,22,25)