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

Systemtic Name: butyl 4-[2-[ethyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[ethyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[ethyl(tosyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-4-6-15-29-22(26)18-9-11-19(12-10-18)23-21(25)16-24(5-2)30(27,28)20-13-7-17(3)8-14-20/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)