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

Systemtic Name: 5-methyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[(4-tosyl-1,4-diazepan-1-yl)methyl]isoxazole Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C17H23N3O3S/c1-14-4-6-17(7-5-14)24(21,22)20-9-3-8-19(10-11-20)13-16-12-15(2)23-18-16/h4-7,12H,3,8-11,13H2,1-2H3