2-[(3-nitrophenyl)methylsulfonyl-(3-oxidanylpropyl)amino]ethanamide

Systemtic Name: 2-[(3-nitrophenyl)methylsulfonyl-(3-oxidanylpropyl)amino]ethanamide Openeye Name: 2-[3-hydroxypropyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide CAS Name: 2-[3-hydroxypropyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide IUPAC Name: 2-[3-hydroxypropyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide Traditional Name: 2-[3-hydroxypropyl-(3-nitrobenzyl)sulfonyl-amino]acetamide Formula: C12H17N3O6S MolecularWeight: 331.34488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)N(CCCO)CC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)N(CCCO)CC(=O)N

InChI

InChI=1S/C12H17N3O6S/c13-12(17)8-14(5-2-6-16)22(20,21)9-10-3-1-4-11(7-10)15(18)19/h1,3-4,7,16H,2,5-6,8-9H2,(H2,13,17)