N-[[5-[4-[(3-methylsulfanylphenyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[5-[4-[(3-methylsulfanylphenyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[5-[[4-(3-methylsulfanylanilino)-1-piperidyl]sulfonyl]-2-thienyl]methyl]-4-nitro-benzamide CAS Name: N-[[5-[[4-[3-(methylthio)anilino]-1-piperidinyl]sulfonyl]-2-thiophenyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[5-[4-(3-methylsulfanylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[5-[4-[3-(methylthio)anilino]piperidino]sulfonyl-2-thienyl]methyl]-4-nitro-benzamide Formula: C24H26N4O5S3 MolecularWeight: 546.68204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2CCN(CC2)S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC2CCN(CC2)S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5S3/c1-34-21-4-2-3-19(15-21)26-18-11-13-27(14-12-18)36(32,33)23-10-9-22(35-23)16-25-24(29)17-5-7-20(8-6-17)28(30)31/h2-10,15,18,26H,11-14,16H2,1H3,(H,25,29)