methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]propanoate Openeye Name: methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]propanoate CAS Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-(ethylthio)-1-oxobutyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanylbutanoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[2-(brosylamino)-4-(ethylthio)butanoyl]amino]phenyl]propionic acid methyl ester Formula: C22H27BrN2O5S2 MolecularWeight: 543.49418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O5S2/c1-3-31-15-14-20(25-32(28,29)19-11-7-17(23)8-12-19)22(27)24-18-9-4-16(5-10-18)6-13-21(26)30-2/h4-5,7-12,20,25H,3,6,13-15H2,1-2H3,(H,24,27)