ethyl 1-[1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]nipecotoyl]nipecotic acid ethyl ester Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

InChI

InChI=1S/C22H29N3O7S/c1-3-31-21(27)16-7-4-10-24(13-16)20(26)15-6-5-11-25(14-15)33(29,30)17-8-9-18-19(12-17)32-22(28)23(18)2/h8-9,12,15-16H,3-7,10-11,13-14H2,1-2H3