methyl 7-[[4-(phenylsulfonylamino)phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[4-(phenylsulfonylamino)phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[4-(benzenesulfonamido)benzoyl]amino]heptanoate CAS Name: 7-[[[4-(benzenesulfonamido)phenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[4-(benzenesulfonamido)benzoyl]amino]heptanoate Traditional Name: 7-[[4-(benzenesulfonamido)benzoyl]amino]enanthic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-28-20(24)11-7-2-3-8-16-22-21(25)17-12-14-18(15-13-17)23-29(26,27)19-9-5-4-6-10-19/h4-6,9-10,12-15,23H,2-3,7-8,11,16H2,1H3,(H,22,25)