(2S)-4-(4-chloranyl-2-nitro-phenyl)-2-methyl-1-(phenylsulfonyl)piperazine

Systemtic Name: (2S)-4-(4-chloranyl-2-nitro-phenyl)-2-methyl-1-(phenylsulfonyl)piperazine Openeye Name: (2S)-1-(benzenesulfonyl)-4-(4-chloro-2-nitro-phenyl)-2-methyl-piperazine CAS Name: (2S)-1-(benzenesulfonyl)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazine IUPAC Name: (2S)-1-(benzenesulfonyl)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazine Traditional Name: (2S)-1-besyl-4-(4-chloro-2-nitro-phenyl)-2-methyl-piperazine Formula: C17H18ClN3O4S MolecularWeight: 395.86052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O4S/c1-13-12-19(16-8-7-14(18)11-17(16)21(22)23)9-10-20(13)26(24,25)15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3/t13-/m0/s1