6-chloranyl-7-[3-(2-methylpiperidin-1-yl)-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[3-(2-methylpiperidin-1-yl)-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[3-(2-methyl-1-piperidyl)-3-oxo-propyl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[3-(2-methyl-1-piperidinyl)-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[3-keto-3-(2-methylpiperidino)propyl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC1CCCCN1C(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C17H21ClN2O5S/c1-11-4-2-3-6-20(11)17(22)5-7-26(23,24)15-9-14-13(8-12(15)18)19-16(21)10-25-14/h8-9,11H,2-7,10H2,1H3,(H,19,21)