tert-butyl 4-[(Z)-N-[(4-methylphenyl)sulfonylamino]-C-(pyrimidin-4-ylmethyl)carbonimidoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(Z)-N-[(4-methylphenyl)sulfonylamino]-C-(pyrimidin-4-ylmethyl)carbonimidoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(Z)-N-(p-tolylsulfonylamino)-C-(pyrimidin-4-ylmethyl)carbonimidoyl]piperidine-1-carboxylate CAS Name: 4-[(1Z)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2-(4-pyrimidinyl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(Z)-N-[(4-methylphenyl)sulfonylamino]-C-(pyrimidin-4-ylmethyl)carbonimidoyl]piperidine-1-carboxylate Traditional Name: 4-[(Z)-C-(4-pyrimidylmethyl)-N-(tosylamino)carbonimidoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O4S MolecularWeight: 473.58834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=C(CC2=NC=NC=C2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/CC2=NC=NC=C2)\C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N5O4S/c1-17-5-7-20(8-6-17)33(30,31)27-26-21(15-19-9-12-24-16-25-19)18-10-13-28(14-11-18)22(29)32-23(2,3)4/h5-9,12,16,18,27H,10-11,13-15H2,1-4H3/b26-21-