ethyl 3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20N4O7S MolecularWeight: 472.4711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7S/c1-2-32-21(27)17-11-16(12-18(13-17)25(28)29)20(26)23-7-9-24(10-8-23)33(30,31)19-6-4-3-5-15(19)14-22/h3-6,11-13H,2,7-10H2,1H3