[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-(2-methoxy-5-nitro-phenyl)methanone Formula: C16H16BrN3O6S2 MolecularWeight: 490.34874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H16BrN3O6S2/c1-26-13-3-2-11(20(22)23)10-12(13)16(21)18-6-8-19(9-7-18)28(24,25)15-5-4-14(17)27-15/h2-5,10H,6-9H2,1H3