butyl 4-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-2,4,6-trimethyl-anilino)acetyl]amino]benzoic acid butyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C

InChI

InChI=1S/C23H30N2O5S/c1-6-7-12-30-23(27)19-8-10-20(11-9-19)24-21(26)15-25(31(5,28)29)22-17(3)13-16(2)14-18(22)4/h8-11,13-14H,6-7,12,15H2,1-5H3,(H,24,26)