1-[4-(2-methyl-5-propan-2-yl-phenoxy)-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-(2-methyl-5-propan-2-yl-phenoxy)-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(5-isopropyl-2-methyl-phenoxy)-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-(2-methyl-5-propan-2-ylphenoxy)-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(2-methyl-5-propan-2-ylphenoxy)-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-(5-isopropyl-2-methyl-phenoxy)-3-nitro-phenyl]sulfonylpiperidine Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c1-15(2)17-8-7-16(3)21(13-17)28-20-10-9-18(14-19(20)23(24)25)29(26,27)22-11-5-4-6-12-22/h7-10,13-15H,4-6,11-12H2,1-3H3