2-[(4-nitrophenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]acetamide CAS Name: 2-[(4-nitrophenyl)methylthio]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]acetamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide Traditional Name: 2-[(4-nitrobenzyl)thio]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]acetamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O4S/c28-24(19-32-18-20-8-10-22(11-9-20)27(29)30)25-12-5-15-31-23-7-4-6-21(16-23)17-26-13-2-1-3-14-26/h4,6-11,16H,1-3,5,12-15,17-19H2,(H,25,28)