(2-nitro-4-piperidin-1-ylsulfonyl-phenyl) pyrrolidine-1-carbodithioate

Systemtic Name: (2-nitro-4-piperidin-1-ylsulfonyl-phenyl) pyrrolidine-1-carbodithioate Openeye Name: [2-nitro-4-(1-piperidylsulfonyl)phenyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-nitro-4-(1-piperidinylsulfonyl)phenyl] ester IUPAC Name: (2-nitro-4-piperidin-1-ylsulfonylphenyl) pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid (2-nitro-4-piperidinosulfonyl-phenyl) ester Formula: C16H21N3O4S3 MolecularWeight: 415.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC(=S)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC(=S)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S3/c20-19(21)14-12-13(26(22,23)18-10-2-1-3-11-18)6-7-15(14)25-16(24)17-8-4-5-9-17/h6-7,12H,1-5,8-11H2