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

Systemtic Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-2-methoxy-benzamide Openeye Name: N-[2-(4-butanoylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfonyl)ethyl]-2-methoxy-benzamide CAS Name: 2-methoxy-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]-2-methoxybenzamide Traditional Name: N-[2-(4-butyrylpiperazino)-2-keto-1-tosyl-ethyl]-2-methoxy-benzamide Formula: C25H31N3O6S MolecularWeight: 501.59514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CC=C2OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CC=C2OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H31N3O6S/c1-4-7-22(29)27-14-16-28(17-15-27)25(31)24(35(32,33)19-12-10-18(2)11-13-19)26-23(30)20-8-5-6-9-21(20)34-3/h5-6,8-13,24H,4,7,14-17H2,1-3H3,(H,26,30)