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

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfonyl)ethyl]benzamide CAS Name: N-[(1R)-1-(4-methylphenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]benzamide Traditional Name: N-[(1R)-2-(4-butyrylpiperazino)-2-keto-1-tosyl-ethyl]benzamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H29N3O5S/c1-3-7-21(28)26-14-16-27(17-15-26)24(30)23(25-22(29)19-8-5-4-6-9-19)33(31,32)20-12-10-18(2)11-13-20/h4-6,8-13,23H,3,7,14-17H2,1-2H3,(H,25,29)/t23-/m1/s1