(2S,6S)-2,6-dimethyl-4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)morpholine

Systemtic Name: (2S,6S)-2,6-dimethyl-4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)morpholine Openeye Name: (2S,6S)-2,6-dimethyl-4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)morpholine CAS Name: (2S,6S)-2,6-dimethyl-4-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]morpholine IUPAC Name: (2S,6S)-2,6-dimethyl-4-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)morpholine Traditional Name: (2S,6S)-2,6-dimethyl-4-(4-nitro-2-pyrrolidinosulfonyl-phenyl)morpholine Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H23N3O5S/c1-12-10-17(11-13(2)24-12)15-6-5-14(19(20)21)9-16(15)25(22,23)18-7-3-4-8-18/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3/t12-,13-/m0/s1