2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S2/c1-30-20-9-8-16(12-19(20)24(26)27)14-31-15-21(25)22-17-6-5-7-18(13-17)32(28,29)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,22,25)