(4-methylsulfonylphenyl)-[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-[oxo(4-thiazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CSC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CSC=N3

InChI

InChI=1S/C17H19N3O4S2/c1-26(23,24)14-5-3-13(4-6-14)16(21)19-7-2-8-20(10-9-19)17(22)15-11-25-12-18-15/h3-6,11-12H,2,7-10H2,1H3