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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonyl-4-veratryl-piperazine Formula: C20H30N4O4S MolecularWeight: 422.5416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C20H30N4O4S/c1-6-24-16(3)20(15(2)21-24)29(25,26)23-11-9-22(10-12-23)14-17-7-8-18(27-4)19(13-17)28-5/h7-8,13H,6,9-12,14H2,1-5H3