1-(3-nitropyridin-2-yl)-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-(3-nitro-2-pyridinyl)-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-benzylsulfonyl-4-(3-nitro-2-pyridyl)piperazine Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O4S/c21-20(22)15-7-4-8-17-16(15)18-9-11-19(12-10-18)25(23,24)13-14-5-2-1-3-6-14/h1-8H,9-13H2