5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(m-tolyl)oxazole CAS Name: 5-(1-azepanyl)-4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)oxazole IUPAC Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-4-brosyl-2-(m-tolyl)oxazole Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O3S/c1-16-7-6-8-17(15-16)20-24-21(22(28-20)25-13-4-2-3-5-14-25)29(26,27)19-11-9-18(23)10-12-19/h6-12,15H,2-5,13-14H2,1H3