5-methyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]isoxazole IUPAC Name: 5-methyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]isoxazole Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C14H19N3O3S2/c1-12-10-13(15-20-12)11-16-5-3-6-17(8-7-16)22(18,19)14-4-2-9-21-14/h2,4,9-10H,3,5-8,11H2,1H3