(2S)-2-methyl-1-methylsulfonyl-4-[4-nitro-3-(oxan-4-yl)phenyl]piperazine

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-4-[4-nitro-3-(oxan-4-yl)phenyl]piperazine Openeye Name: (2S)-2-methyl-1-methylsulfonyl-4-(4-nitro-3-tetrahydropyran-4-yl-phenyl)piperazine CAS Name: (2S)-2-methyl-1-methylsulfonyl-4-[4-nitro-3-(4-oxanyl)phenyl]piperazine IUPAC Name: (2S)-2-methyl-1-methylsulfonyl-4-[4-nitro-3-(oxan-4-yl)phenyl]piperazine Traditional Name: (2S)-1-mesyl-2-methyl-4-(4-nitro-3-tetrahydropyran-4-yl-phenyl)piperazine Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)C2=CC(=C(C=C2)[N+](=O)[O-])C3CCOCC3

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C)C2=CC(=C(C=C2)[N+](=O)[O-])C3CCOCC3

InChI

InChI=1S/C17H25N3O5S/c1-13-12-18(7-8-19(13)26(2,23)24)15-3-4-17(20(21)22)16(11-15)14-5-9-25-10-6-14/h3-4,11,13-14H,5-10,12H2,1-2H3/t13-/m0/s1