N-[3-[(4-bromophenyl)-[(2-ethyl-2-oxidanyl-butanoyl)amino]amino]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-bromophenyl)-[(2-ethyl-2-oxidanyl-butanoyl)amino]amino]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(4-bromo-N-[(2-ethyl-2-hydroxy-butanoyl)amino]anilino)-3-oxo-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(4-bromo-N-[(2-ethyl-2-hydroxy-1-oxobutyl)amino]anilino)-3-oxopropyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(4-bromo-N-[(2-ethyl-2-hydroxybutanoyl)amino]anilino)-3-oxopropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-bromo-N-[(2-ethyl-2-hydroxy-butanoyl)amino]anilino)-3-keto-propyl]-4-methyl-benzenesulfonamide Formula: C22H28BrN3O5S MolecularWeight: 526.44382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NN(C1=CC=C(C=C1)Br)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCC(CC)(C(=O)NN(C1=CC=C(C=C1)Br)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C22H28BrN3O5S/c1-4-22(29,5-2)21(28)25-26(18-10-8-17(23)9-11-18)20(27)14-15-24-32(30,31)19-12-6-16(3)7-13-19/h6-13,24,29H,4-5,14-15H2,1-3H3,(H,25,28)