N-[(2S)-6-methylheptan-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-4-nitro-benzenesulfonamide Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-11(2)5-4-6-12(3)15-21(19,20)14-9-7-13(8-10-14)16(17)18/h7-12,15H,4-6H2,1-3H3/t12-/m0/s1