[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]-(2-thienyl)methanone Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O5S/c22-15(13-26-16-4-1-3-14(11-16)21(24)25)12-19-6-8-20(9-7-19)18(23)17-5-2-10-27-17/h1-5,10-11,15,22H,6-9,12-13H2