1-[2-(4-chloranylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-(4-chloranylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C18H20ClN3O5S MolecularWeight: 425.8865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O5S/c19-15-4-6-17(7-5-15)27-13-12-20-8-10-21(11-9-20)28(25,26)18-3-1-2-16(14-18)22(23)24/h1-7,14H,8-13H2