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

Systemtic Name: 2-[3-(4-methoxyphenyl)propyl]-1-(4-methylphenyl)sulfonyl-piperidine-2-carbothioic S-acid Openeye Name: 2-[3-(4-methoxyphenyl)propyl]-1-(p-tolylsulfonyl)piperidine-2-carbothioic S-acid CAS Name: 2-[3-(4-methoxyphenyl)propyl]-1-(4-methylphenyl)sulfonyl-2-piperidinecarbothioic S-acid IUPAC Name: 2-[3-(4-methoxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbothioic S-acid Traditional Name: 2-[3-(4-methoxyphenyl)propyl]-1-tosyl-thiopipecolinic acid Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2(CCCC3=CC=C(C=C3)OC)C(=O)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2(CCCC3=CC=C(C=C3)OC)C(=O)S

InChI

InChI=1S/C23H29NO4S2/c1-18-7-13-21(14-8-18)30(26,27)24-17-4-3-15-23(24,22(25)29)16-5-6-19-9-11-20(28-2)12-10-19/h7-14H,3-6,15-17H2,1-2H3,(H,25,29)