1-[(6-chloranylpyridin-3-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O4S/c17-16-5-4-13(11-18-16)12-19-6-8-20(9-7-19)26(24,25)15-3-1-2-14(10-15)21(22)23/h1-5,10-11H,6-9,12H2