1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(pyrimidin-2-ylamino)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(pyrimidin-2-ylamino)propyl]piperidine-4-carboxamide Openeye Name: N-[3-(pyrimidin-2-ylamino)propyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(2-pyrimidinylamino)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(pyrimidin-2-ylamino)propyl]piperidine-4-carboxamide Traditional Name: N-[3-(2-pyrimidylamino)propyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCNC2=NC=CC=N2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCCNC2=NC=CC=N2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3S/c27-20(22-11-4-12-23-21-24-13-5-14-25-21)19-8-15-26(16-9-19)30(28,29)17-10-18-6-2-1-3-7-18/h1-3,5-7,10,13-14,17,19H,4,8-9,11-12,15-16H2,(H,22,27)(H,23,24,25)/b17-10+