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

Systemtic Name: butyl 4-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(dimethylcarbamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid butyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C23H29N3O6S/c1-5-6-15-32-23(29)18-7-11-19(12-8-18)24-21(27)16-26(33(4,30)31)20-13-9-17(10-14-20)22(28)25(2)3/h7-14H,5-6,15-16H2,1-4H3,(H,24,27)