1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine CAS Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine IUPAC Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine Traditional Name: 1-mesyl-4-(3-nitrobenzyl)piperazine Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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