2-methyl-N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]benzamide

Systemtic Name: 2-methyl-N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]benzamide Openeye Name: 2-methyl-N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]-4-piperidyl]benzamide CAS Name: 2-methyl-N-[1-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-4-piperidinyl]benzamide IUPAC Name: 2-methyl-N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]benzamide Traditional Name: 2-methyl-N-[1-[2-[(4-nitrophenyl)thio]propanoyl]-4-piperidyl]benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-15-5-3-4-6-20(15)21(26)23-17-11-13-24(14-12-17)22(27)16(2)30-19-9-7-18(8-10-19)25(28)29/h3-10,16-17H,11-14H2,1-2H3,(H,23,26)