[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-quinolyl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(2-quinolinyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(2-quinolyl)methanone Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N4O5S/c1-15-6-8-17(25(27)28)14-20(15)31(29,30)24-12-10-23(11-13-24)21(26)19-9-7-16-4-2-3-5-18(16)22-19/h2-9,14H,10-13H2,1H3