1-[(4-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(4-chlorobenzyl)-4-(4-mesyl-2-nitro-phenyl)piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c1-27(25,26)16-6-7-17(18(12-16)22(23)24)21-10-8-20(9-11-21)13-14-2-4-15(19)5-3-14/h2-7,12H,8-11,13H2,1H3