1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)methanimine

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)methanimine Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-[4-(1-piperidylsulfonyl)phenyl]methanimine CAS Name: 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-[4-(1-piperidinylsulfonyl)phenyl]methanimine IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)methanimine Traditional Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene-(4-piperidinosulfonylphenyl)amine Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H30N4O4S/c1-36-27-16-11-22(19-28(27)37-2)29-23(21-33(31-29)25-9-5-3-6-10-25)20-30-24-12-14-26(15-13-24)38(34,35)32-17-7-4-8-18-32/h3,5-6,9-16,19-21H,4,7-8,17-18H2,1-2H3