8-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]quinoline Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H22N4O4S/c1-16-7-8-19(25(26)27)14-20(16)30(28,29)24-12-10-23(11-13-24)15-18-5-2-4-17-6-3-9-22-21(17)18/h2-9,14H,10-13,15H2,1H3