1-[1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-(4-chloro-3-nitro-phenyl)sulfonyl-4-piperidyl]-8-methyl-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinyl]-8-methyl-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-(4-chloro-3-nitrophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-(4-chloro-3-nitro-phenyl)sulfonyl-4-piperidyl]-8-methyl-4H-3,1-benzoxazin-2-one Formula: C20H20ClN3O6S MolecularWeight: 465.9073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O6S/c1-13-3-2-4-14-12-30-20(25)23(19(13)14)15-7-9-22(10-8-15)31(28,29)16-5-6-17(21)18(11-16)24(26)27/h2-6,11,15H,7-10,12H2,1H3