S-[3-(4-methoxyphenyl)propyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SCCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29NO4S2/c1-18-8-14-21(15-9-18)30(26,27)24-16-4-3-7-22(24)23(25)29-17-5-6-19-10-12-20(28-2)13-11-19/h8-15,22H,3-7,16-17H2,1-2H3