S-(1,5-diphenylpentan-3-yl) (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-(1,5-diphenylpentan-3-yl) (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-(1-phenethyl-3-phenyl-propyl) (2S)-1-(p-tolylsulfonyl)piperidine-2-carbothioate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-piperidinecarbothioic acid S-(1,5-diphenylpentan-3-yl) ester IUPAC Name: S-(1,5-diphenylpentan-3-yl) (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: (2S)-1-tosylpiperidine-2-carbothioic acid S-(1-phenethyl-3-phenyl-propyl) ester Formula: C30H35NO3S2 MolecularWeight: 521.7338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SC(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)SC(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C30H35NO3S2/c1-24-15-21-28(22-16-24)36(33,34)31-23-9-8-14-29(31)30(32)35-27(19-17-25-10-4-2-5-11-25)20-18-26-12-6-3-7-13-26/h2-7,10-13,15-16,21-22,27,29H,8-9,14,17-20,23H2,1H3/t29-/m0/s1