methyl 1-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-phenyl-isonipecotic acid methyl ester Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O6S/c1-29-20(26)21(14-5-3-2-4-6-14)7-9-24(10-8-21)31(27,28)18-12-17-16(11-15(18)22)23-19(25)13-30-17/h2-6,11-12H,7-10,13H2,1H3,(H,23,25)