1-[3,5-bis(chloranyl)pyridin-4-yl]-4-[(3-nitrophenyl)methylsulfonyl]piperazine

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-4-yl]-4-[(3-nitrophenyl)methylsulfonyl]piperazine Openeye Name: 1-(3,5-dichloro-4-pyridyl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine CAS Name: 1-(3,5-dichloro-4-pyridinyl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine IUPAC Name: 1-(3,5-dichloropyridin-4-yl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine Traditional Name: 1-(3,5-dichloro-4-pyridyl)-4-(3-nitrobenzyl)sulfonyl-piperazine Formula: C16H16Cl2N4O4S MolecularWeight: 431.29364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)S(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)S(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16Cl2N4O4S/c17-14-9-19-10-15(18)16(14)20-4-6-21(7-5-20)27(25,26)11-12-2-1-3-13(8-12)22(23)24/h1-3,8-10H,4-7,11H2