3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methyl-3-nitro-phenyl)benzamide Openeye Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methyl-3-nitro-phenyl)benzamide CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-(4-methyl-3-nitrophenyl)benzamide IUPAC Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methyl-3-nitrophenyl)benzamide Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-13-7-8-17(10-19(13)23(25)26)21-20(24)16-5-4-6-18(9-16)30(27,28)22-11-14(2)29-15(3)12-22/h4-10,14-15H,11-12H2,1-3H3,(H,21,24)/t14-,15-/m0/s1