N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]-piperonylamide Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SC[C@H](CO)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c20-7-13(21)8-27-14-5-11(4-12(6-14)19(23)24)18-17(22)10-1-2-15-16(3-10)26-9-25-15/h1-6,13,20-21H,7-9H2,(H,18,22)/t13-/m0/s1