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

Systemtic Name: 3,5-dimethyl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(2-thienylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(2-thenyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole Formula: C15H21N3O3S2 MolecularWeight: 355.47554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C15H21N3O3S2/c1-12-15(13(2)21-16-12)23(19,20)18-7-4-6-17(8-9-18)11-14-5-3-10-22-14/h3,5,10H,4,6-9,11H2,1-2H3