N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-2-nitro-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-2-nitro-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-nitro-N-prop-2-enylbenzenesulfonamide IUPAC Name: N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-nitro-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-N-[(1S)-2-methyl-1-methylol-propyl]-2-nitro-benzenesulfonamide Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)N(CC=C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](CO)N(CC=C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O5S/c1-4-9-15(13(10-17)11(2)3)22(20,21)14-8-6-5-7-12(14)16(18)19/h4-8,11,13,17H,1,9-10H2,2-3H3/t13-/m1/s1