ethyl 2-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O7S/c1-4-33-22(27)15-34(31,32)21-9-8-18(13-20(21)26(29)30)23(28)24-10-11-25(17(3)14-24)19-7-5-6-16(2)12-19/h5-9,12-13,17H,4,10-11,14-15H2,1-3H3