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

Systemtic Name: N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-3-chloranyl-propanamide Openeye Name: 3-chloro-N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]propanamide CAS Name: 3-chloro-N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]propanamide IUPAC Name: 3-chloro-N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-chloro-N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]propionamide Formula: C12H15ClN2O5S MolecularWeight: 334.7759

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])SCC(CO)O)NC(=O)CCCl

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])SC[C@H](CO)O)NC(=O)CCCl

InChI

InChI=1S/C12H15ClN2O5S/c13-2-1-12(18)14-8-3-9(15(19)20)5-11(4-8)21-7-10(17)6-16/h3-5,10,16-17H,1-2,6-7H2,(H,14,18)/t10-/m0/s1