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

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-[2-(methylthio)phenyl]methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-[2-(methylthio)phenyl]methanone Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C18H23N3O4S2/c1-13-17(14(2)25-19-13)27(23,24)21-10-6-9-20(11-12-21)18(22)15-7-4-5-8-16(15)26-3/h4-5,7-8H,6,9-12H2,1-3H3