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

Systemtic Name: (3S)-3-methyl-1-[3-nitro-4-(2-nitrophenoxy)phenyl]sulfonyl-piperidine Openeye Name: (3S)-3-methyl-1-[3-nitro-4-(2-nitrophenoxy)phenyl]sulfonyl-piperidine CAS Name: (3S)-3-methyl-1-[3-nitro-4-(2-nitrophenoxy)phenyl]sulfonylpiperidine IUPAC Name: (3S)-3-methyl-1-[3-nitro-4-(2-nitrophenoxy)phenyl]sulfonylpiperidine Traditional Name: (3S)-3-methyl-1-[3-nitro-4-(2-nitrophenoxy)phenyl]sulfonyl-piperidine Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7S/c1-13-5-4-10-19(12-13)29(26,27)14-8-9-18(16(11-14)21(24)25)28-17-7-3-2-6-15(17)20(22)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m0/s1