2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanone CAS Name: 2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-17(20-8-5-9-21(15-20)24(26)27)28-16-22(25)23-12-10-19(11-13-23)14-18-6-3-2-4-7-18/h2-9,15,17,19H,10-14,16H2,1H3/t17-/m1/s1