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

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-(4-phenylpiperidin-1-yl)ethanone Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-(4-phenyl-1-piperidyl)ethanone CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-1-(4-phenyl-1-piperidinyl)ethanone IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1-(4-phenylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-1-(4-phenylpiperidino)ethanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-27-20-8-7-16(13-19(20)23(25)26)14-28-15-21(24)22-11-9-18(10-12-22)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3