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

Systemtic Name: 2-chloranyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]quinoline Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O5S/c1-31-20-7-6-17(13-19(20)26(27)28)32(29,30)25-10-8-24(9-11-25)14-16-12-15-4-2-3-5-18(15)23-21(16)22/h2-7,12-13H,8-11,14H2,1H3