N,N-diethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-quinolin-8-yl-methyl]benzamide

Systemtic Name: N,N-diethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-quinolin-8-yl-methyl]benzamide Openeye Name: N,N-diethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(8-quinolyl)methyl]benzamide CAS Name: N,N-diethyl-4-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-(8-quinolinyl)methyl]benzamide IUPAC Name: N,N-diethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-quinolin-8-ylmethyl]benzamide Traditional Name: N,N-diethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazino]-(8-quinolyl)methyl]benzamide Formula: C31H33N5O5S MolecularWeight: 587.68922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C31H33N5O5S/c1-3-33(4-2)31(37)25-16-14-24(15-17-25)30(26-11-7-9-23-10-8-18-32-29(23)26)34-19-21-35(22-20-34)42(40,41)28-13-6-5-12-27(28)36(38)39/h5-18,30H,3-4,19-22H2,1-2H3