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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-mesyl-2-nitro-phenyl)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)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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