2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-ethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-benzyl-N-ethyl-acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-benzyl-N-ethylacetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-benzyl-N-ethyl-acetamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O5S/c1-2-26(17-20-10-6-5-7-11-20)24(29)18-28-22-16-21(12-13-23(22)33-19-25(28)30)34(31,32)27-14-8-3-4-9-15-27/h5-7,10-13,16H,2-4,8-9,14-15,17-19H2,1H3