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

Systemtic Name: 5-(azepan-1-yl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(m-tolyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(m-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=C3)C)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-17-10-12-20(13-11-17)29(26,27)22-23(25-14-5-3-4-6-15-25)28-21(24-22)19-9-7-8-18(2)16-19/h7-13,16H,3-6,14-15H2,1-2H3