4-bromanyl-N-[1-(3-methyl-4-pentanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[1-(3-methyl-4-pentanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[1-benzyl-2-(3-methyl-4-pentanoyl-piperazin-1-yl)-2-oxo-ethyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[1-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide Traditional Name: N-[1-benzyl-2-keto-2-(3-methyl-4-valeryl-piperazino)ethyl]-4-bromo-benzenesulfonamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H32BrN3O4S/c1-3-4-10-24(30)29-16-15-28(18-19(29)2)25(31)23(17-20-8-6-5-7-9-20)27-34(32,33)22-13-11-21(26)12-14-22/h5-9,11-14,19,23,27H,3-4,10,15-18H2,1-2H3