1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-[2-(4-methoxyphenyl)ethyl]piperidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O4S/c1-28-20-8-4-17(5-9-20)2-3-18-12-14-23(15-13-18)22(25)16-29-21-10-6-19(7-11-21)24(26)27/h4-11,18H,2-3,12-16H2,1H3