ethyl 1-[2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[6-(3,5-dimethylpiperidino)sulfonyl-3-keto-1,4-benzoxazin-4-yl]acetyl]nipecotic acid ethyl ester Formula: C25H35N3O7S MolecularWeight: 521.6263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C25H35N3O7S/c1-4-34-25(31)19-6-5-9-26(14-19)23(29)15-28-21-11-20(7-8-22(21)35-16-24(28)30)36(32,33)27-12-17(2)10-18(3)13-27/h7-8,11,17-19H,4-6,9-10,12-16H2,1-3H3