2-chloranyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]quinoline Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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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=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-15-6-7-18(26(27)28)13-20(15)31(29,30)25-10-8-24(9-11-25)14-17-12-16-4-2-3-5-19(16)23-21(17)22/h2-7,12-13H,8-11,14H2,1H3