1-(azepan-1-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]ethanone Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N2O4S2/c1-2-25(21,22)13-7-8-15-14(11-13)18-17(23-15)24-12-16(20)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10,12H2,1H3