1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-16-13-17(2)15-18(14-16)28-12-11-21-7-9-22(10-8-21)29(26,27)20-6-4-3-5-19(20)23(24)25/h3-6,13-15H,7-12H2,1-2H3