4-[5-[(3S)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-2-nitro-phenyl]morpholine

Systemtic Name: 4-[5-[(3S)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-2-nitro-phenyl]morpholine Openeye Name: 4-[5-[(3S)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-2-nitro-phenyl]morpholine CAS Name: 4-[5-[(3S)-3-methyl-4-methylsulfonyl-1-piperazinyl]-2-nitrophenyl]morpholine IUPAC Name: 4-[5-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-2-nitrophenyl]morpholine Traditional Name: 4-[5-[(3S)-4-mesyl-3-methyl-piperazino]-2-nitro-phenyl]morpholine Formula: C16H24N4O5S MolecularWeight: 384.45056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C16H24N4O5S/c1-13-12-18(5-6-19(13)26(2,23)24)14-3-4-15(20(21)22)16(11-14)17-7-9-25-10-8-17/h3-4,11,13H,5-10,12H2,1-2H3/t13-/m0/s1