(2S)-2-methyl-4-(4-nitro-3-piperidin-1-yl-phenyl)-1-(phenylsulfonyl)piperazine

Systemtic Name: (2S)-2-methyl-4-(4-nitro-3-piperidin-1-yl-phenyl)-1-(phenylsulfonyl)piperazine Openeye Name: (2S)-1-(benzenesulfonyl)-2-methyl-4-[4-nitro-3-(1-piperidyl)phenyl]piperazine CAS Name: (2S)-1-(benzenesulfonyl)-2-methyl-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine IUPAC Name: (2S)-1-(benzenesulfonyl)-2-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine Traditional Name: (2S)-1-besyl-2-methyl-4-(4-nitro-3-piperidino-phenyl)piperazine Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C22H28N4O4S/c1-18-17-24(14-15-25(18)31(29,30)20-8-4-2-5-9-20)19-10-11-21(26(27)28)22(16-19)23-12-6-3-7-13-23/h2,4-5,8-11,16,18H,3,6-7,12-15,17H2,1H3/t18-/m0/s1