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

Systemtic Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-2-methyl-benzamide Openeye Name: N-[2-(4-butanoylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfonyl)ethyl]-2-methyl-benzamide CAS Name: 2-methyl-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-methylbenzamide Traditional Name: N-[2-(4-butyrylpiperazino)-2-keto-1-tosyl-ethyl]-2-methyl-benzamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H31N3O5S/c1-4-7-22(29)27-14-16-28(17-15-27)25(31)24(26-23(30)21-9-6-5-8-19(21)3)34(32,33)20-12-10-18(2)11-13-20/h5-6,8-13,24H,4,7,14-17H2,1-3H3,(H,26,30)