N-[(1S)-2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[(1S)-2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[(1S)-2-(4-butanoylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfonyl)ethyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[(1S)-1-(4-methylphenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[(1S)-2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[(1S)-2-(4-butyrylpiperazino)-2-keto-1-tosyl-ethyl]-3-methyl-benzamide Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-4-6-22(29)27-13-15-28(16-14-27)25(31)24(26-23(30)20-8-5-7-19(3)17-20)34(32,33)21-11-9-18(2)10-12-21/h5,7-12,17,24H,4,6,13-16H2,1-3H3,(H,26,30)/t24-/m0/s1