3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C17H19F3N2O3S MolecularWeight: 388.40457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H19F3N2O3S/c1-12-6-7-13(14-11-16(25-21-14)17(18,19)20)10-15(12)26(23,24)22-8-4-2-3-5-9-22/h6-7,10-11H,2-5,8-9H2,1H3