methyl 3-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[2-(2,5-dimethyl-1-pyrrolyl)-4-nitrophenyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitrophenyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C22H24N4O6S2 MolecularWeight: 504.57916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=C(SC=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=C(SC=C4)C(=O)OC)C

InChI

InChI=1S/C22H24N4O6S2/c1-15-4-5-16(2)25(15)19-14-17(26(28)29)6-7-18(19)23-9-11-24(12-10-23)34(30,31)20-8-13-33-21(20)22(27)32-3/h4-8,13-14H,9-12H2,1-3H3