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

Systemtic Name: 3,5-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Traditional Name: 4-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-isoxazole Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O5S2/c1-14-18(15(2)26-19-14)28(24,25)21-10-4-9-20(11-12-21)13-16-5-7-17(8-6-16)27(3,22)23/h5-8H,4,9-13H2,1-3H3