methyl 4-[[3-[(4-bromophenyl)sulfonylamino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-[(4-bromophenyl)sulfonylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-[(4-bromophenyl)sulfonylamino]benzoyl]amino]butanoate CAS Name: 4-[[[3-[(4-bromophenyl)sulfonylamino]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-bromophenyl)sulfonylamino]benzoyl]amino]butanoate Traditional Name: 4-[[3-(brosylamino)benzoyl]amino]butyric acid methyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O5S/c1-26-17(22)6-3-11-20-18(23)13-4-2-5-15(12-13)21-27(24,25)16-9-7-14(19)8-10-16/h2,4-5,7-10,12,21H,3,6,11H2,1H3,(H,20,23)