N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-tosyl-N-[(E)-veratrylideneamino]isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N/N=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O5S/c1-16-4-7-19(8-5-16)31(27,28)25-12-10-18(11-13-25)22(26)24-23-15-17-6-9-20(29-2)21(14-17)30-3/h4-9,14-15,18H,10-13H2,1-3H3,(H,24,26)/b23-15+