N-[(1R)-2-(4-butanoylpiperazin-1-yl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-4-methyl-benzamide Openeye Name: N-[(1R)-1-(benzenesulfonyl)-2-(4-butanoylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzamide CAS Name: N-[(1R)-1-(benzenesulfonyl)-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]-4-methylbenzamide IUPAC Name: N-[(1R)-1-(benzenesulfonyl)-2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide Traditional Name: N-[(1R)-1-besyl-2-(4-butyrylpiperazino)-2-keto-ethyl]-4-methyl-benzamide Formula: C24H29N3O5S MolecularWeight: 471.56916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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