1-[(4-methylphenyl)sulfanylmethyl]piperidine; 4-nitrobenzoyl chloride

Systemtic Name: 1-[(4-methylphenyl)sulfanylmethyl]piperidine; 4-nitrobenzoyl chloride Openeye Name: 4-nitrobenzoyl chloride; 1-(p-tolylsulfanylmethyl)piperidine CAS Name: 1-[[(4-methylphenyl)thio]methyl]piperidine; 4-nitrobenzoyl chloride IUPAC Name: 1-[(4-methylphenyl)sulfanylmethyl]piperidine; 4-nitrobenzoyl chloride Traditional Name: 4-nitrobenzoyl chloride; 1-[(p-tolylthio)methyl]piperidine Formula: C20H23ClN2O3S MolecularWeight: 406.92622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCN2CCCCC2.C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCN2CCCCC2.C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H19NS.C7H4ClNO3/c1-12-5-7-13(8-6-12)15-11-14-9-3-2-4-10-14;8-7(10)5-1-3-6(4-2-5)9(11)12/h5-8H,2-4,9-11H2,1H3;1-4H