3-methyl-8-[4-[(2-methyl-3-nitro-phenyl)methyl]piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-[(2-methyl-3-nitro-phenyl)methyl]piperazin-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-[(2-methyl-3-nitro-phenyl)methyl]piperazin-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-[(2-methyl-3-nitrophenyl)methyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-[(2-methyl-3-nitrophenyl)methyl]piperazin-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-(2-methyl-3-nitro-benzyl)piperazino]sulfonyl-quinoline Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O4S/c1-16-13-18-5-4-8-21(22(18)23-14-16)31(29,30)25-11-9-24(10-12-25)15-19-6-3-7-20(17(19)2)26(27)28/h3-8,13-14H,9-12,15H2,1-2H3