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

Systemtic Name: butyl 4-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]benzoic acid butyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-5-14-28-21(25)17-10-12-18(13-11-17)22-20(24)15-23(29(3,26)27)19-9-7-6-8-16(19)2/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)