N-[(3R,4S)-6-methyl-3-oxidanyl-hept-1-en-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(3R,4S)-6-methyl-3-oxidanyl-hept-1-en-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1S,2R)-2-hydroxy-1-isobutyl-but-3-enyl]-4-nitro-benzenesulfonamide CAS Name: N-[(3R,4S)-3-hydroxy-6-methylhept-1-en-4-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(3R,4S)-3-hydroxy-6-methylhept-1-en-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1S,2R)-2-hydroxy-1-isobutyl-but-3-enyl]-4-nitro-benzenesulfonamide Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c1-4-14(17)13(9-10(2)3)15-22(20,21)12-7-5-11(6-8-12)16(18)19/h4-8,10,13-15,17H,1,9H2,2-3H3/t13-,14+/m0/s1