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

Systemtic Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxidanylidene-ethyl]-2-chloranyl-benzamide Openeye Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxo-ethyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]-2-chlorobenzamide Traditional Name: N-[2-(4-butyrylpiperazino)-1-(4-fluorophenyl)sulfonyl-2-keto-ethyl]-2-chloro-benzamide Formula: C23H25ClFN3O5S MolecularWeight: 509.978103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25ClFN3O5S/c1-2-5-20(29)27-12-14-28(15-13-27)23(31)22(26-21(30)18-6-3-4-7-19(18)24)34(32,33)17-10-8-16(25)9-11-17/h3-4,6-11,22H,2,5,12-15H2,1H3,(H,26,30)