1-(4-methoxy-2-nitro-phenyl)-4-methylsulfonyl-piperazine

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-4-methylsulfonyl-piperazine Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-4-methylsulfonyl-piperazine CAS Name: 1-(4-methoxy-2-nitrophenyl)-4-methylsulfonylpiperazine IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-4-methylsulfonylpiperazine Traditional Name: 1-mesyl-4-(4-methoxy-2-nitro-phenyl)piperazine Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c1-20-10-3-4-11(12(9-10)15(16)17)13-5-7-14(8-6-13)21(2,18)19/h3-4,9H,5-8H2,1-2H3