1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]ethanone Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S/c1-16(17-4-3-5-19(14-17)24(26)27)29-15-21(25)23-12-10-22(11-13-23)18-6-8-20(28-2)9-7-18/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1