1-[(3-nitrophenyl)methyl]-4-propylsulfonyl-piperazine

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonyl-piperazine Openeye Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonyl-piperazine CAS Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonylpiperazine IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonylpiperazine Traditional Name: 1-(3-nitrobenzyl)-4-propylsulfonyl-piperazine Formula: C14H21N3O4S MolecularWeight: 327.39924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S/c1-2-10-22(20,21)16-8-6-15(7-9-16)12-13-4-3-5-14(11-13)17(18)19/h3-5,11H,2,6-10,12H2,1H3