2-methyl-4-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-5-(phenylmethyl)pyrimidine

Systemtic Name: 2-methyl-4-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-2-methyl-4-[1-[(E)-styryl]sulfonyl-4-piperidyl]pyrimidine CAS Name: 2-methyl-4-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-2-methyl-4-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]pyrimidine Traditional Name: 5-benzyl-2-methyl-4-[1-[(E)-styryl]sulfonyl-4-piperidyl]pyrimidine Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S/c1-20-26-19-24(18-22-10-6-3-7-11-22)25(27-20)23-12-15-28(16-13-23)31(29,30)17-14-21-8-4-2-5-9-21/h2-11,14,17,19,23H,12-13,15-16,18H2,1H3/b17-14+