butyl 4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate

Systemtic Name: butyl 4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: butyl 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 4-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[2-(N-mesylanilino)butanoylamino]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)C(CC)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

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