2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-1-[4-(piperidine-1-carbonyl)piperazino]ethanone Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O5S/c1-29-18-6-5-16(13-17(18)24(27)28)14-30-15-19(25)21-9-11-23(12-10-21)20(26)22-7-3-2-4-8-22/h5-6,13H,2-4,7-12,14-15H2,1H3