3-nitro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 3-nitro-N-[[1-(2-thienylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 3-nitro-N-[[1-(thiophen-2-ylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 3-nitro-N-[[1-(2-thenyl)-4-piperidyl]methyl]benzenesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C17H21N3O4S2/c21-20(22)15-3-1-5-17(11-15)26(23,24)18-12-14-6-8-19(9-7-14)13-16-4-2-10-25-16/h1-5,10-11,14,18H,6-9,12-13H2