2-(2-iodanylphenyl)-4-(4-methylphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole

Systemtic Name: 2-(2-iodanylphenyl)-4-(4-methylphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole Openeye Name: 2-(2-iodophenyl)-5-(1-piperidyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 2-(2-iodophenyl)-4-(4-methylphenyl)sulfonyl-5-(1-piperidinyl)oxazole IUPAC Name: 2-(2-iodophenyl)-4-(4-methylphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole Traditional Name: 2-(2-iodophenyl)-5-piperidino-4-tosyl-oxazole Formula: C21H21IN2O3S MolecularWeight: 508.37251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3I)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3I)N4CCCCC4

InChI

InChI=1S/C21H21IN2O3S/c1-15-9-11-16(12-10-15)28(25,26)20-21(24-13-5-2-6-14-24)27-19(23-20)17-7-3-4-8-18(17)22/h3-4,7-12H,2,5-6,13-14H2,1H3