1-cyclohexyl-4-[1-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfonylphenyl]ethyl]piperazine

Systemtic Name: 1-cyclohexyl-4-[1-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfonylphenyl]ethyl]piperazine Openeye Name: 1-cyclohexyl-4-[1-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfonylphenyl]ethyl]piperazine CAS Name: 1-cyclohexyl-4-[1-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfonylphenyl]ethyl]piperazine IUPAC Name: 1-cyclohexyl-4-[1-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfonylphenyl]ethyl]piperazine Traditional Name: 1-cyclohexyl-4-[1-[4-[4-(3-nitrobenzyl)oxyphenyl]sulfonylphenyl]ethyl]piperazine Formula: C31H37N3O5S MolecularWeight: 563.70758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C31H37N3O5S/c1-24(32-18-20-33(21-19-32)27-7-3-2-4-8-27)26-10-14-30(15-11-26)40(37,38)31-16-12-29(13-17-31)39-23-25-6-5-9-28(22-25)34(35)36/h5-6,9-17,22,24,27H,2-4,7-8,18-21,23H2,1H3