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

Systemtic Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 4-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]benzonitrile Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-13-17(14(2)26-20-13)27(24,25)22-9-3-8-21(10-11-22)18(23)16-6-4-15(12-19)5-7-16/h4-7H,3,8-11H2,1-2H3