2-[(3-nitrophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(3-nitrophenyl)methylsulfanyl]propan-1-one CAS Name: 2-[(3-nitrophenyl)methylthio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(3-nitrophenyl)methylsulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[(3-nitrobenzyl)thio]propan-1-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O3S/c1-17(28-16-20-8-5-9-21(15-20)24(26)27)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