1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine

Systemtic Name: 1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: 1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: 1-[4-(1-azetidinyl)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: 1-[4-(azetidin-1-yl)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: 1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4S/c1-12-4-2-9-17(11-12)23(21,22)13-5-6-14(16-7-3-8-16)15(10-13)18(19)20/h5-6,10,12H,2-4,7-9,11H2,1H3