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

Systemtic Name: ethyl 1-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]nipecotic acid ethyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3

InChI

InChI=1S/C17H22N2O6S/c1-3-24-17(21)12-5-4-6-19(9-12)26(22,23)15-8-14-13(7-11(15)2)18-16(20)10-25-14/h7-8,12H,3-6,9-10H2,1-2H3,(H,18,20)