2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]-5-nitro-nicotinonitrile Formula: C20H18N6O4S MolecularWeight: 438.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NC=C(C=C4C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NC=C(C=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O4S/c1-14-9-15-3-2-4-18(19(15)22-12-14)31(29,30)25-7-5-24(6-8-25)20-16(11-21)10-17(13-23-20)26(27)28/h2-4,9-10,12-13H,5-8H2,1H3