[(3S)-1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidin-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidin-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]-3-piperidyl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-3-piperidinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-[5-[(methylthio)methyl]-2-furoyl]-3-piperidyl]-(4-phenoxyphenyl)methanone Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25NO4S/c1-31-17-22-13-14-23(30-22)25(28)26-15-5-6-19(16-26)24(27)18-9-11-21(12-10-18)29-20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-17H2,1H3/t19-/m0/s1