(2S)-2-methyl-4-(4-nitrophenyl)-1-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: (2S)-2-methyl-4-(4-nitrophenyl)-1-(phenylmethyl)sulfonyl-piperazine Openeye Name: (2S)-1-benzylsulfonyl-2-methyl-4-(4-nitrophenyl)piperazine CAS Name: (2S)-2-methyl-4-(4-nitrophenyl)-1-(phenylmethyl)sulfonylpiperazine IUPAC Name: (2S)-1-benzylsulfonyl-2-methyl-4-(4-nitrophenyl)piperazine Traditional Name: (2S)-1-benzylsulfonyl-2-methyl-4-(4-nitrophenyl)piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-15-13-19(17-7-9-18(10-8-17)21(22)23)11-12-20(15)26(24,25)14-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1