2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-14-8-10-22(11-9-14)18(19-7-4-12-27-19)13-21-20(24)16-5-3-6-17(15(16)2)23(25)26/h3-7,12,14,18H,8-11,13H2,1-2H3,(H,21,24)