N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-3-cyclopentyl-propanamide

Systemtic Name: N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-3-cyclopentyl-propanamide Openeye Name: 3-cyclopentyl-N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]propanamide CAS Name: 3-cyclopentyl-N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]propanamide IUPAC Name: 3-cyclopentyl-N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-cyclopentyl-N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]propionamide Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=CC(=CC(=C2)SC[C@H](CO)O)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O5S/c20-10-15(21)11-25-16-8-13(7-14(9-16)19(23)24)18-17(22)6-5-12-3-1-2-4-12/h7-9,12,15,20-21H,1-6,10-11H2,(H,18,22)/t15-/m0/s1