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

Systemtic Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-phenyl-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-4-(4-methylphenyl)sulfonyl-2-phenyloxazole IUPAC Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-phenyl-4-tosyl-oxazole Formula: C22H24N2O3S MolecularWeight: 396.50256

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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=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C22H24N2O3S/c1-17-11-13-19(14-12-17)28(25,26)21-22(24-15-7-2-3-8-16-24)27-20(23-21)18-9-5-4-6-10-18/h4-6,9-14H,2-3,7-8,15-16H2,1H3