2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H23N3O4S2/c1-19(2)26(22,23)13-7-8-15-14(11-13)18-17(24-15)25-12-16(21)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3