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

Systemtic Name: 1-[1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-(4-chloro-3-nitro-phenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-(4-chloro-3-nitrophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-(4-chloro-3-nitro-phenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O6S/c20-16-6-5-15(11-18(16)23(25)26)30(27,28)21-9-7-14(8-10-21)22-17-4-2-1-3-13(17)12-29-19(22)24/h1-6,11,14H,7-10,12H2