3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]propionamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O5S/c1-17-24(29)26-21-16-19(9-12-22(21)32-17)25-23(28)13-8-18-6-10-20(11-7-18)33(30,31)27-14-4-2-3-5-15-27/h6-7,9-12,16-17H,2-5,8,13-15H2,1H3,(H,25,28)(H,26,29)/t17-/m0/s1