3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-4-methyl-5-nitro-benzenecarbonitrile

Systemtic Name: 3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-4-methyl-5-nitro-benzenecarbonitrile Openeye Name: 3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-4-methyl-5-nitro-benzonitrile CAS Name: 3-[2-[(2,6-dimethyl-4-morpholinyl)sulfonyl]ethylamino]-4-methyl-5-nitrobenzonitrile IUPAC Name: 3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-4-methyl-5-nitrobenzonitrile Traditional Name: 3-[2-(2,6-dimethylmorpholino)sulfonylethylamino]-4-methyl-5-nitro-benzonitrile Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)CCNC2=C(C(=CC(=C2)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)CCNC2=C(C(=CC(=C2)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N4O5S/c1-11-9-19(10-12(2)25-11)26(23,24)5-4-18-15-6-14(8-17)7-16(13(15)3)20(21)22/h6-7,11-12,18H,4-5,9-10H2,1-3H3