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

Systemtic Name: 5-(azepan-1-yl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(o-tolyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(o-tolyl)-4-tosyl-oxazole Formula: C23H26N2O3S MolecularWeight: 410.52914

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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=C3C)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3C)N4CCCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-17-11-13-19(14-12-17)29(26,27)22-23(25-15-7-3-4-8-16-25)28-21(24-22)20-10-6-5-9-18(20)2/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3