N-(2-methyl-5-nitro-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(2-thienylsulfonyl)piperazino]acetamide Formula: C17H20N4O5S2 MolecularWeight: 424.4945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N4O5S2/c1-13-4-5-14(21(23)24)11-15(13)18-16(22)12-19-6-8-20(9-7-19)28(25,26)17-3-2-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,18,22)