4-[2-(4-methylphenyl)sulfanylphenyl]piperidine; pentanedioic acid

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine; pentanedioic acid Openeye Name: glutaric acid; 4-[2-(p-tolylsulfanyl)phenyl]piperidine CAS Name: 4-[2-[(4-methylphenyl)thio]phenyl]piperidine; pentanedioic acid IUPAC Name: 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine; pentanedioic acid Traditional Name: glutaric acid; 4-[2-(p-tolylthio)phenyl]piperidine Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3.C(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3.C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H21NS.C5H8O4/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15;6-4(7)2-1-3-5(8)9/h2-9,15,19H,10-13H2,1H3;1-3H2,(H,6,7)(H,8,9)