iodanylmethane; piperidin-4-yl 2-ethylsulfanyl-2,2-diphenyl-ethanoate

Systemtic Name: iodanylmethane; piperidin-4-yl 2-ethylsulfanyl-2,2-diphenyl-ethanoate Openeye Name: iodomethane; 4-piperidyl 2-ethylsulfanyl-2,2-diphenyl-acetate CAS Name: 2-(ethylthio)-2,2-diphenylacetic acid 4-piperidinyl ester; iodomethane IUPAC Name: iodomethane; piperidin-4-yl 2-ethylsulfanyl-2,2-diphenylacetate Traditional Name: 2-(ethylthio)-2,2-diphenyl-acetic acid 4-piperidyl ester; iodomethane Formula: C22H28INO2S MolecularWeight: 497.43269

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCNCC3.CI

Isomeric SMILES

CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCNCC3.CI

InChI

InChI=1S/C21H25NO2S.CH3I/c1-2-25-21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)20(23)24-19-13-15-22-16-14-19;1-2/h3-12,19,22H,2,13-16H2,1H3;1H3