2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-(ethylthio)-1-oxobutyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanylbutanoyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(brosylamino)-4-(ethylthio)butanoyl]amino]phenyl]acetic acid Formula: C20H23BrN2O5S2 MolecularWeight: 515.44102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O5S2/c1-2-29-12-11-18(23-30(27,28)17-9-5-15(21)6-10-17)20(26)22-16-7-3-14(4-8-16)13-19(24)25/h3-10,18,23H,2,11-13H2,1H3,(H,22,26)(H,24,25)