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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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