N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-nitro-benzenesulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-13-11-21(12-14(2)28-13)19(23)15-6-8-16(9-7-15)20-29(26,27)18-5-3-4-17(10-18)22(24)25/h3-10,13-14,20H,11-12H2,1-2H3/t13-,14-/m0/s1