(3S)-1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine

Systemtic Name: (3S)-1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[4-(2-methoxy-5-nitrophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3S)-1-[4-(2-methoxy-5-nitrophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=CC(=C3)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=CC(=C3)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c1-13-4-3-9-20(12-13)31(27,28)15-6-8-17(16(11-15)22(25)26)30-19-10-14(21(23)24)5-7-18(19)29-2/h5-8,10-11,13H,3-4,9,12H2,1-2H3/t13-/m0/s1