1-methyl-4-[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonyl-piperazine Openeye Name: 1-[4-(2-allylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-methyl-4-[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonylpiperazine Traditional Name: 1-[4-(2-allylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3CC=C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3CC=C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-3-6-16-7-4-5-8-19(16)28-20-10-9-17(15-18(20)23(24)25)29(26,27)22-13-11-21(2)12-14-22/h3-5,7-10,15H,1,6,11-14H2,2H3