S-(4-phenylbutyl) 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carbothioate CAS Name: 1-(3,4,5-trimethoxyphenyl)sulfonyl-2-piperidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C25H33NO6S2 MolecularWeight: 507.66262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)N2CCCCC2C(=O)SCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H33NO6S2/c1-30-22-17-20(18-23(31-2)24(22)32-3)34(28,29)26-15-9-7-14-21(26)25(27)33-16-10-8-13-19-11-5-4-6-12-19/h4-6,11-12,17-18,21H,7-10,13-16H2,1-3H3