(2-chloranyl-4-nitro-phenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazino]methanone Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O5S/c1-13-3-4-14(2)18(11-13)29(27,28)22-9-7-21(8-10-22)19(24)16-6-5-15(23(25)26)12-17(16)20/h3-6,11-12H,7-10H2,1-2H3