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

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-4-chloranyl-benzamide Openeye Name: N-[(1R)-1-(benzenesulfonyl)-2-(4-butanoylpiperazin-1-yl)-2-oxo-ethyl]-4-chloro-benzamide CAS Name: N-[(1R)-1-(benzenesulfonyl)-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]-4-chlorobenzamide IUPAC Name: N-[(1R)-1-(benzenesulfonyl)-2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide Traditional Name: N-[(1R)-1-besyl-2-(4-butyrylpiperazino)-2-keto-ethyl]-4-chloro-benzamide Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c1-2-6-20(28)26-13-15-27(16-14-26)23(30)22(33(31,32)19-7-4-3-5-8-19)25-21(29)17-9-11-18(24)12-10-17/h3-5,7-12,22H,2,6,13-16H2,1H3,(H,25,29)/t22-/m1/s1