butyl 4-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(3-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-ethoxy-N-mesyl-anilino)acetyl]amino]benzoic acid butyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-4-6-14-30-22(26)17-10-12-18(13-11-17)23-21(25)16-24(31(3,27)28)19-8-7-9-20(15-19)29-5-2/h7-13,15H,4-6,14,16H2,1-3H3,(H,23,25)