1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazine

Systemtic Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazine Openeye Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazine CAS Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazine IUPAC Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazine Traditional Name: 1-mesyl-4-(4-nitrobenzyl)piperazine Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-20(18,19)14-8-6-13(7-9-14)10-11-2-4-12(5-3-11)15(16)17/h2-5H,6-10H2,1H3