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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine Formula: C19H27N5O4S MolecularWeight: 421.51378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H27N5O4S/c1-4-5-17-6-8-18(9-7-17)29(27,28)22-12-10-21(11-13-22)14-23-16(3)19(24(25)26)15(2)20-23/h6-9H,4-5,10-14H2,1-3H3