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

Systemtic Name: 2-chloranyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-quinoline Openeye Name: 2-chloro-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-quinoline CAS Name: 2-chloro-3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-7-methylquinoline IUPAC Name: 2-chloro-3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylquinoline Traditional Name: 2-chloro-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-7-methyl-quinoline Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O5S/c1-15-3-4-16-12-17(22(23)24-19(16)11-15)14-25-7-9-26(10-8-25)33(30,31)18-5-6-21(32-2)20(13-18)27(28)29/h3-6,11-13H,7-10,14H2,1-2H3