3-[[4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[[4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole Formula: C17H22ClN3O4S MolecularWeight: 399.89228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H22ClN3O4S/c1-13-10-15(19-25-13)12-20-6-3-7-21(9-8-20)26(22,23)17-11-14(18)4-5-16(17)24-2/h4-5,10-11H,3,6-9,12H2,1-2H3