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

Systemtic Name: 5-[3-(azepan-1-ylsulfonyl)-4-ethyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-(azepan-1-ylsulfonyl)-4-ethyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[3-(1-azepanylsulfonyl)-4-ethylphenyl]-3-methylisoxazole IUPAC Name: 5-[3-(azepan-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-(azepan-1-ylsulfonyl)-4-ethyl-phenyl]-3-methyl-isoxazole Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N2O3S/c1-3-15-8-9-16(17-12-14(2)19-23-17)13-18(15)24(21,22)20-10-6-4-5-7-11-20/h8-9,12-13H,3-7,10-11H2,1-2H3