methyl 2-[4-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(5-benzyl-2-methyl-pyrimidin-4-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(5-benzyl-2-methyl-pyrimidin-4-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-18-26-17-21(16-19-8-4-3-5-9-19)24(27-18)20-12-14-28(15-13-20)33(30,31)23-11-7-6-10-22(23)25(29)32-2/h3-11,17,20H,12-16H2,1-2H3