N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-butan-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-butan-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-[(2-hydroxyethylamino)methyl]-2,2-dimethyl-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-[(2-hydroxyethylamino)methyl]-2,2-dimethyl-propyl]-4-nitro-benzenesulfonamide Formula: C14H23N3O5S MolecularWeight: 345.41452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O5S/c1-14(2,3)13(10-15-8-9-18)16-23(21,22)12-6-4-11(5-7-12)17(19)20/h4-7,13,15-16,18H,8-10H2,1-3H3/t13-/m1/s1