(4-methylsulfanylphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-(methylthio)benzyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-27-17-8-5-15(6-9-17)14-26-20(23)16-7-10-18(19(13-16)22(24)25)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12,14H2,1H3