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2-[3-(4-methoxyphenyl)propyl]-1-(phenylsulfonyl)piperidine-2-carbothioic S-acid

2-[3-(4-methoxyphenyl)propyl]-1-(phenylsulfonyl)piperidine-2-carbothioic S-acid

Systemtic Name:2-[3-(4-methoxyphenyl)propyl]-1-(phenylsulfonyl)piperidine-2-carbothioic S-acid
Openeye Name:1-(benzenesulfonyl)-2-[3-(4-methoxyphenyl)propyl]piperidine-2-carbothioic S-acid
CAS Name:1-(benzenesulfonyl)-2-[3-(4-methoxyphenyl)propyl]-2-piperidinecarbothioic S-acid
IUPAC Name:1-(benzenesulfonyl)-2-[3-(4-methoxyphenyl)propyl]piperidine-2-carbothioic S-acid
Traditional Name:1-besyl-2-[3-(4-methoxyphenyl)propyl]thiopipecolinic acid
Formula: C22H27NO4S2
MolecularWeight: 433.58408
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2(CCCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)S


Isomeric SMILES

COC1=CC=C(C=C1)CCCC2(CCCCN2S(=O)(=O)C3=CC=CC=C3)C(=O)S


InChI

InChI=1S/C22H27NO4S2/c1-27-19-13-11-18(12-14-19)8-7-16-22(21(24)28)15-5-6-17-23(22)29(25,26)20-9-3-2-4-10-20/h2-4,9-14H,5-8,15-17H2,1H3,(H,24,28)


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