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

Systemtic Name: (3S)-1-[4-(4-chloranyl-2-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-[4-(4-chloro-2-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[4-(4-chloro-2-nitrophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3S)-1-[4-(4-chloro-2-nitrophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-[4-(4-chloro-2-nitro-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7S/c1-12-3-2-8-20(11-12)30(27,28)14-5-7-18(16(10-14)22(25)26)29-17-6-4-13(19)9-15(17)21(23)24/h4-7,9-10,12H,2-3,8,11H2,1H3/t12-/m0/s1