2-[2-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-(4-benzylpiperidine-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(4-benzylpiperidine-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(4-benzylpiperidine-1-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2S/c28-24(26-14-6-7-15-26)19-30-23-11-5-4-10-22(23)25(29)27-16-12-21(13-17-27)18-20-8-2-1-3-9-20/h1-5,8-11,21H,6-7,12-19H2