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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCSC(=O)C2CCCCN2S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCSC(=O)C2CCCCN2S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H29NO4S2/c1-28-21-14-12-19(13-15-21)10-7-17-29-23(25)22-11-5-6-16-24(22)30(26,27)18-20-8-3-2-4-9-20/h2-4,8-9,12-15,22H,5-7,10-11,16-18H2,1H3