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

Systemtic Name: (3R)-1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: (3R)-1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: (3R)-1-[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3R)-1-[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: (3R)-1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C20H24N2O6S MolecularWeight: 420.47936

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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)C)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S/c1-14-6-8-19(20(11-14)27-3)28-18-9-7-16(12-17(18)22(23)24)29(25,26)21-10-4-5-15(2)13-21/h6-9,11-12,15H,4-5,10,13H2,1-3H3/t15-/m1/s1