[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-1-piperidyl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-[1-(2-methoxyethoxymethyl)-2-imidazolyl]-1-piperidinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCN1C=CN=C1C2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COCCOCN1C=CN=C1C2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-28-11-12-29-14-23-10-7-21-19(23)15-5-8-22(9-6-15)20(25)16-3-4-18(30-2)17(13-16)24(26)27/h3-4,7,10,13,15H,5-6,8-9,11-12,14H2,1-2H3