N-[2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-3-chloranyl-benzamide

Systemtic Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-3-chloranyl-benzamide Openeye Name: N-[2-(4-butanoylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfonyl)ethyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-3-chlorobenzamide Traditional Name: N-[2-(4-butyrylpiperazino)-2-keto-1-tosyl-ethyl]-3-chloro-benzamide Formula: C24H28ClN3O5S MolecularWeight: 506.01422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H28ClN3O5S/c1-3-5-21(29)27-12-14-28(15-13-27)24(31)23(26-22(30)18-6-4-7-19(25)16-18)34(32,33)20-10-8-17(2)9-11-20/h4,6-11,16,23H,3,5,12-15H2,1-2H3,(H,26,30)