3-methyl-5-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1,2-oxazole

Systemtic Name: 3-methyl-5-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1,2-oxazole Openeye Name: 5-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methyl-phenyl]-3-methyl-isoxazole CAS Name: 3-methyl-5-[4-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]isoxazole IUPAC Name: 5-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-(4-benzylpiperidino)sulfonyl-4-methyl-phenyl]-3-methyl-isoxazole Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3S/c1-17-8-9-21(22-14-18(2)24-28-22)16-23(17)29(26,27)25-12-10-20(11-13-25)15-19-6-4-3-5-7-19/h3-9,14,16,20H,10-13,15H2,1-2H3