methyl 3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoate Openeye Name: methyl 3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoate CAS Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-1-oxohexyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoate Traditional Name: 3-[4-[2-(brosylamino)hexanoylamino]phenyl]propionic acid methyl ester Formula: C22H27BrN2O5S MolecularWeight: 511.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC=C(C=C1)CCC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCC(C(=O)NC1=CC=C(C=C1)CCC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H27BrN2O5S/c1-3-4-5-20(25-31(28,29)19-13-9-17(23)10-14-19)22(27)24-18-11-6-16(7-12-18)8-15-21(26)30-2/h6-7,9-14,20,25H,3-5,8,15H2,1-2H3,(H,24,27)