5-(azepan-1-yl)-2-(2-iodanylphenyl)-4-(phenylsulfonyl)-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-2-(2-iodanylphenyl)-4-(phenylsulfonyl)-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2-iodophenyl)oxazole CAS Name: 5-(1-azepanyl)-4-(benzenesulfonyl)-2-(2-iodophenyl)oxazole IUPAC Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2-iodophenyl)-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-4-besyl-2-(2-iodophenyl)oxazole Formula: C21H21IN2O3S MolecularWeight: 508.37251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3I)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3I)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21IN2O3S/c22-18-13-7-6-12-17(18)19-23-20(28(25,26)16-10-4-3-5-11-16)21(27-19)24-14-8-1-2-9-15-24/h3-7,10-13H,1-2,8-9,14-15H2