1-(5-chloranyl-2-methyl-phenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4S/c1-13-3-5-15(19)11-17(13)20-7-9-21(10-8-20)27(25,26)16-6-4-14(2)18(12-16)22(23)24/h3-6,11-12H,7-10H2,1-2H3