N-[1-[(4-bromophenyl)-[(2-butyl-2-oxidanyl-hexanoyl)amino]amino]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)-[(2-butyl-2-oxidanyl-hexanoyl)amino]amino]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(4-bromo-N-[(2-butyl-2-hydroxy-hexanoyl)amino]anilino)-1-methyl-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-(4-bromo-N-[(2-butyl-2-hydroxy-1-oxohexyl)amino]anilino)-1-oxopropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-(4-bromo-N-[(2-butyl-2-hydroxyhexanoyl)amino]anilino)-1-oxopropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(4-bromo-N-[(2-butyl-2-hydroxy-hexanoyl)amino]anilino)-2-keto-1-methyl-ethyl]-4-methyl-benzenesulfonamide Formula: C26H36BrN3O5S MolecularWeight: 582.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)NN(C1=CC=C(C=C1)Br)C(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCC(CCCC)(C(=O)NN(C1=CC=C(C=C1)Br)C(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C26H36BrN3O5S/c1-5-7-17-26(33,18-8-6-2)25(32)28-30(22-13-11-21(27)12-14-22)24(31)20(4)29-36(34,35)23-15-9-19(3)10-16-23/h9-16,20,29,33H,5-8,17-18H2,1-4H3,(H,28,32)