1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C16H21N5O4S MolecularWeight: 379.43404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S/c1-13-14(11-17-18(13)2)12-19-6-8-20(9-7-19)26(24,25)16-5-3-4-15(10-16)21(22)23/h3-5,10-11H,6-9,12H2,1-2H3