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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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