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

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S2/c1-12-16(13(2)23-17-12)25(21,22)19-7-4-6-18(8-9-19)15(20)11-14-5-3-10-24-14/h3,5,10H,4,6-9,11H2,1-2H3