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

Systemtic Name: butyl 4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[methyl(tosyl)amino]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(C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

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