1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazine Formula: C17H23N5O4S MolecularWeight: 393.46062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S/c1-14-17(22(23)24)15(2)21(18-14)13-19-8-10-20(11-9-19)27(25,26)12-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3