4-chloranyl-N-[(2S,3S)-3-methyl-1-oxidanyl-pentan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2S,3S)-3-methyl-1-oxidanyl-pentan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(1S,2S)-1-(hydroxymethyl)-2-methyl-butyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(1S,2S)-2-methyl-1-methylol-butyl]-3-nitro-benzenesulfonamide Formula: C12H17ClN2O5S MolecularWeight: 336.79178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O5S/c1-3-8(2)11(7-16)14-21(19,20)9-4-5-10(13)12(6-9)15(17)18/h4-6,8,11,14,16H,3,7H2,1-2H3/t8-,11+/m0/s1