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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O5S/c1-19(20-9-5-4-6-10-20)16-26-24(29)17-28-22-15-21(11-12-23(22)33-18-25(28)30)34(31,32)27-13-7-2-3-8-14-27/h4-6,9-12,15,19H,2-3,7-8,13-14,16-18H2,1H3,(H,26,29)