(4,5-dimethylthiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4,5-dimethylthiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4,5-dimethyl-2-thienyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4,5-dimethyl-2-thiophenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4,5-dimethylthiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4,5-dimethyl-2-thienyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C17H19N3O5S2 MolecularWeight: 409.47986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C17H19N3O5S2/c1-12-11-15(26-13(12)2)17(21)18-7-9-19(10-8-18)27(24,25)16-6-4-3-5-14(16)20(22)23/h3-6,11H,7-10H2,1-2H3