5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-8-nitro-isoquinoline Formula: C17H15BrN4O4S2 MolecularWeight: 483.3594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C17H15BrN4O4S2/c18-16-3-4-17(27-16)28(25,26)21-9-7-20(8-10-21)14-1-2-15(22(23)24)13-11-19-6-5-12(13)14/h1-6,11H,7-10H2