2-chloranyl-7-methoxy-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-7-methoxy-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 2-chloro-7-methoxy-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 2-chloro-7-methoxy-3-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-7-methoxy-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 2-chloro-7-methoxy-3-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]quinoline Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])Cl

InChI

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